data_2lyc_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 2lyc _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.793 0.33 . . . . 74.42 111.139 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -55.31 160.21 2.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.81 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.89 -25.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 71.53 111.111 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.4 m -152.54 106.98 2.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.571 0.701 . . . . 71.05 111.187 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -175.01 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 2.276 . . . . 74.13 112.323 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -87.25 161.57 17.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 75.42 110.906 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -115.01 138.64 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 72.21 111.07 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.4 -168.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.494 . . . . 74.41 111.101 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -57.43 -21.94 39.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 71.02 110.909 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -71.51 -30.07 65.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 74.45 110.89 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -95.78 -39.04 10.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 75.44 110.882 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -64.19 -40.36 95.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 75.21 110.879 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -58.17 -20.19 38.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 74.2 110.917 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 p -77.41 -11.42 59.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 71.12 111.147 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.6 mt -114.63 109.92 47.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.621 0.724 . . . . 73.01 111.121 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 162.34 42.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.279 . . . . 70.21 112.354 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -58.04 -20.03 35.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 72.42 110.886 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -61.38 -19.45 61.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 72.35 110.903 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -113.05 -34.11 5.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.1 110.926 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.44 -52.0 11.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.911 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.57 -89.27 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 72.32 112.496 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -114.93 22.71 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 75.21 110.866 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.16 176.03 5.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 73.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -158.52 162.23 37.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 74.24 111.143 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.63 -42.77 56.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 75.45 110.919 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.27 -41.71 89.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 72.51 110.891 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.0 mtt -63.21 -42.31 99.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.879 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 mtp -74.51 -37.44 63.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 73.41 110.893 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -57.07 -42.4 80.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.89 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -78.4 -27.19 46.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 64.43 110.927 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.7 mt -72.73 -46.16 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 72.32 111.183 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.8 t -73.9 -27.58 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 71.31 111.088 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -72.53 -52.96 13.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 62.12 110.853 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -43.38 98.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.822 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 78.8 mtp -59.22 -49.66 77.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 73.03 110.865 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.22 -29.9 67.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.43 . . . . 63.25 110.895 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -66.53 -54.95 18.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 53.32 110.864 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -39.44 91.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.865 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.75 -35.02 67.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.915 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.6 tpt -65.0 -41.31 95.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.871 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -70.66 -34.02 71.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 75.43 110.914 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -62.55 -53.63 51.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.918 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t -64.7 -24.89 67.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.84 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -29.46 63.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 75.12 110.925 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -81.65 -33.22 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 72.12 111.09 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 6.1 mt -60.86 -18.78 58.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 75.41 110.891 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.06 -31.28 3.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 65.44 112.516 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.05 -174.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 74.24 110.92 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 p -139.96 -172.72 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.15 111.139 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -64.35 -15.55 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.882 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -70.52 -53.41 16.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.896 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.99 -28.59 29.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 74.35 110.936 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -50.77 117.85 2.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.909 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 t -119.36 -174.12 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 71.22 111.11 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -50.76 -50.35 55.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 65.54 110.904 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.1 m -60.5 -25.98 66.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.857 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -74.87 -33.76 62.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 73.44 110.877 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -38.94 57.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 73.41 110.84 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -68.34 -38.14 81.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 61.41 110.887 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.5 m -72.08 -37.98 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 72.14 111.111 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.84 -39.13 90.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.949 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -41.14 82.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 75.2 110.89 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -73.62 -44.7 56.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 63.33 110.824 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 31.0 m0 -59.5 -43.61 93.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 73.33 110.916 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -22.97 60.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 72.04 110.833 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -69.43 -44.51 71.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 74.14 110.846 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 pp -76.0 -32.64 59.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 72.23 110.876 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -68.44 -33.08 73.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.859 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.6 ptm -87.65 -18.44 29.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 73.41 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.47 -18.92 36.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 72.43 110.894 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.21 2.76 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 72.44 111.057 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? 69.8 57.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 72.14 110.887 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt 40.23 40.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.87 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -102.49 -174.16 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 74.41 110.885 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.7 mp 63.93 114.77 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.709 . . . . 70.51 110.901 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -19.24 36.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.732 2.288 . . . . 72.14 112.356 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.44 172.08 8.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 74.32 111.103 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.6 m -138.61 9.61 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.22 111.153 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.6 mt -117.93 65.46 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 72.34 110.919 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -137.21 172.73 12.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.907 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -143.97 171.86 13.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 71.52 110.894 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.1 pt -98.98 143.75 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 71.42 111.112 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.71 -25.29 53.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 72.2 110.886 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -9.82 59.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 74.31 111.195 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.69 -26.19 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 71.42 110.88 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.1 mm -96.11 -36.18 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 73.33 111.15 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.522 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 10.3 tpp85 -50.68 -57.98 11.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 74.45 110.906 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.9 Cg_endo -69.73 5.01 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 72.23 112.331 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.15 -22.48 12.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 75.42 110.895 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.51 -113.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 74.14 110.872 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -136.83 141.46 42.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 75.11 110.88 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -68.29 -22.94 64.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 64.12 110.857 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -101.12 -2.58 31.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.868 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.1 tp -64.69 -21.84 66.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 74.3 110.93 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 62.21 163.39 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.702 . . . . 75.33 110.873 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 68.26 1.7 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.731 2.287 . . . . 74.34 112.361 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.18 -15.66 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 72.02 110.825 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -50.95 -52.44 42.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.894 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.8 -22.32 13.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 65.42 111.102 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -97.55 -21.81 16.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 71.3 110.907 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.66 -17.43 38.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 63.53 111.112 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.626 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 14.6 mm -46.63 -52.16 32.64 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.605 0.717 . . . . 72.53 111.083 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.8 Cg_endo -69.75 -22.0 32.76 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.678 2.252 . . . . 71.02 112.333 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.0 t -83.51 -27.4 29.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 75.42 110.879 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -84.29 -34.08 23.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.893 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -79.71 -32.73 41.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 73.35 110.897 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -55.41 -21.19 14.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 73.12 110.862 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 14.5 pt -106.49 -10.84 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 53.3 111.134 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 70.38 45.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.869 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -100.09 -29.37 12.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 75.44 110.894 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.9 pp -149.85 -179.65 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.136 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -140.48 169.77 17.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.852 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.04 126.92 17.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 73.43 110.92 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.15 111.58 21.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.927 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.14 100.58 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 73.34 110.868 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 28.4 m -121.71 89.4 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.837 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.499 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 62.93 -148.76 49.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 75.33 112.501 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 35.57 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 75.32 112.344 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.499 ' H ' ' C ' ' A' ' 120' ' ' GLY . 32.9 mt -143.95 166.64 24.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 73.12 110.886 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.51 108.73 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 62.42 111.107 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -96.94 163.15 13.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 75.41 110.879 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -148.88 123.55 9.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.133 -0.485 . . . . 74.33 110.955 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -122.47 160.54 47.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.681 0.753 . . . . 72.12 110.918 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 96.69 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 73.23 112.362 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.692 -0.766 . . . . 70.41 112.51 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.814 0.34 . . . . 74.32 111.152 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.5 147.17 42.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.04 110.839 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.62 -33.38 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 74.23 111.145 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.6 m -154.2 100.06 2.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 74.45 111.164 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 164.26 35.22 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.642 2.228 . . . . 74.1 112.346 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -61.96 169.21 2.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 72.32 110.89 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.3 pt -120.6 120.44 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.32 111.156 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.16 -169.25 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 74.53 111.19 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.52 -19.54 64.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 71.11 110.864 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -80.68 -29.33 36.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 74.1 110.856 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -95.18 -34.4 12.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 71.33 110.879 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -71.57 -33.56 69.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 71.24 110.876 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -66.42 -11.63 52.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.497 . . . . 72.21 110.913 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 p -76.66 -7.68 55.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 61.44 111.129 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.7 mp -110.96 120.46 43.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.689 0.756 . . . . 72.15 111.129 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 154.74 67.49 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.673 2.248 . . . . 70.44 112.345 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -57.03 -28.03 62.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 74.25 110.887 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -62.75 -17.85 61.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 70.42 110.91 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -108.31 -33.48 7.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 73.13 110.91 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.95 -60.31 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 74.45 110.924 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.03 74.16 0.51 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.766 -0.731 . . . . 72.15 112.474 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 66.04 13.24 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 75.12 110.888 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 mt -84.25 160.95 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 74.3 110.872 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 m -144.01 158.85 43.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 75.21 111.123 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.71 -42.66 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 72.42 110.938 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.25 -38.18 79.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 74.35 110.918 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.0 mmt -62.81 -48.05 80.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 72.5 110.923 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.6 mtt -75.09 -31.83 61.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 72.35 110.866 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -58.84 -42.94 90.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.864 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -80.07 -31.45 39.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 64.33 110.85 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.3 mt -68.06 -46.74 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 75.24 111.133 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.0 t -75.33 -26.94 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 74.24 111.162 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -73.11 -52.17 15.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.843 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -42.11 88.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.902 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.9 mtm -58.96 -53.47 58.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.1 110.881 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -32.01 72.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 74.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -59.94 -55.18 37.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 64.3 110.848 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -49.65 76.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 74.51 110.858 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -33.08 74.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.901 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.6 ttp -64.36 -38.48 91.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 74.34 110.89 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -72.0 -36.87 69.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.908 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.438 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 31.5 mmtp -61.42 -53.07 61.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.912 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -64.99 -25.51 67.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.23 110.855 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -29.03 64.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 73.22 110.862 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -84.66 -31.88 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 75.3 111.173 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 5.0 mt -61.43 -17.95 56.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 75.45 110.911 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -106.13 -36.75 2.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.695 -0.764 . . . . 71.11 112.498 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.85 171.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 75.25 110.856 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.2 t -117.17 173.18 6.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 75.23 111.145 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -58.14 -22.36 50.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 71.01 110.933 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -69.85 -45.99 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 71.01 110.856 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -84.28 -26.57 28.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 75.41 110.933 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tt -49.05 123.79 7.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.888 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.7 p -127.06 -172.44 2.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 75.33 111.19 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.8 tpp85 -50.13 -46.44 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 65.31 110.861 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.84 -29.23 70.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 55.24 110.897 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -75.9 -32.93 59.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 53.4 110.919 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.1 -38.86 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 75.05 110.853 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.4 -42.51 75.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 71.13 110.875 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.1 m -66.57 -40.33 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 74.53 111.144 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.75 -44.79 92.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.916 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -42.17 97.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 73.35 110.836 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -70.23 -46.28 64.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 74.43 110.898 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -49.84 -48.7 50.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 73.41 110.963 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -22.42 61.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 75.41 110.914 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -38.53 63.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.884 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -42.69 51.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 75.43 110.93 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.08 -29.01 68.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 75.23 110.928 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.0 ptm -87.98 -17.33 31.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 72.42 110.897 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -91.23 -12.34 35.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 75.33 110.915 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.58 0.03 18.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 54.4 111.134 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 48.23 36.69 7.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.901 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -178.4 165.65 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.52 110.914 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -104.98 91.11 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 72.41 110.885 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.31 160.59 39.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 70.5 110.954 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -36.64 10.38 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.711 2.274 . . . . 74.2 112.301 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.6 m -122.99 99.53 6.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 74.43 111.15 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 m -65.27 -12.57 53.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 71.31 111.186 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -75.38 71.84 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.901 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.01 -177.73 5.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.892 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -151.32 168.47 24.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.904 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.8 pt -99.16 153.12 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 71.42 111.15 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -56.19 -30.3 62.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.03 110.851 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -8.94 58.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 71.2 111.139 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -98.93 -6.93 27.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.871 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.4 mm -122.59 -37.36 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.23 111.165 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.514 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 13.0 ttt180 -49.38 -58.62 8.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 74.32 110.876 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.75 9.32 0.61 Allowed 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.689 2.259 . . . . 75.33 112.353 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.418 ' H ' ' C ' ' A' ' 90' ' ' ARG . 0.6 OUTLIER -112.89 -23.26 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 70.43 110.902 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.0 mt -73.8 -118.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 72.54 110.903 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.471 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.7 tt0 -134.81 143.42 47.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 71.53 110.952 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.09 -39.32 93.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.872 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -90.42 21.27 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 74.21 110.909 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 94' ' ' GLN . 9.6 tp -80.67 -22.31 40.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.935 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 64.35 164.11 0.12 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 73.24 110.854 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 69.4 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.649 2.233 . . . . 72.51 112.338 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.72 -23.97 15.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.9 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -51.63 -50.48 60.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 74.11 110.878 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.0 -19.94 21.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 71.1 111.073 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.38 -20.13 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.901 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.92 -19.98 33.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 74.51 111.11 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.628 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 15.5 mm -46.32 -52.26 29.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.668 0.747 . . . . 71.25 111.147 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.628 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.4 Cg_endo -69.78 -30.75 21.67 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.664 2.243 . . . . 70.33 112.387 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 4.7 m -77.7 -13.9 59.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 74.54 110.867 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -95.15 -34.68 12.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 75.32 110.91 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -84.14 -30.63 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 73.23 110.852 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -56.57 -20.8 22.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 62.14 110.843 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 13.1 pt -101.16 -11.39 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 74.42 111.09 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.51 57.59 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 74.1 110.882 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.0 mtp85 -121.29 -31.57 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 72.34 110.851 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 pp -144.57 -179.27 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 75.44 111.117 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -146.18 175.35 10.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 73.14 110.863 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.48 130.38 18.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.54 110.856 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.48 106.74 14.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.895 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -81.95 102.19 10.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 75.44 110.864 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 6.5 m -125.74 93.86 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.892 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.468 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 60.52 -149.27 43.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 64.33 112.475 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 39.34 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 74.3 112.35 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 120' ' ' GLY . 77.7 mt -147.71 166.89 26.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.876 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m -153.25 111.4 3.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 72.14 111.107 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -97.92 168.13 10.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 73.51 110.908 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -151.37 118.8 6.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.96 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -123.95 160.27 52.6 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.653 0.739 . . . . 71.34 110.939 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 93.64 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 2.262 . . . . 74.25 112.348 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 63.13 112.462 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.851 0.358 . . . . 73.21 111.152 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.08 162.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 73.43 110.895 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.85 -21.19 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 62.23 111.113 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 m -153.48 98.52 2.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 71.11 111.146 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 172.34 12.82 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.636 2.224 . . . . 72.14 112.381 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -74.2 164.8 26.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.889 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.8 pt -116.87 119.46 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 71.23 111.11 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.04 -166.58 1.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 73.05 111.144 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.33 -20.26 65.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 73.53 110.849 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -79.88 -29.93 40.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.844 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -95.78 -32.63 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.903 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -72.14 -37.19 69.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.22 110.858 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -10.63 53.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 75.5 110.929 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 p -76.99 -9.62 58.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 74.5 111.13 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.67 129.62 24.15 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 64.42 111.148 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.58 63.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 74.22 112.314 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -56.03 -24.1 37.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 75.03 110.864 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -63.05 -20.75 65.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 75.23 110.896 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -101.92 -38.49 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 71.41 110.906 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.1 mt -72.15 -53.52 12.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 64.22 110.935 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.27 -91.84 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 24.42 112.473 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -110.8 25.48 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 75.15 110.89 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.65 166.85 11.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.928 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.0 m -147.15 160.32 42.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 62.24 111.167 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.92 -42.32 62.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 72.24 110.925 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.05 -38.04 84.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.861 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.409 ' HA ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -62.43 -47.56 83.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 71.43 110.898 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 43.3 mtp -75.95 -32.29 59.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 74.3 110.854 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -58.51 -42.12 86.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.859 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -81.07 -35.0 32.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 71.12 110.937 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.8 mt -64.56 -46.11 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 71.05 111.165 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.9 t -75.45 -31.53 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.15 111.107 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 t -70.03 -48.61 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 62.13 110.838 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.57 -54.59 25.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 71.15 110.884 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.9 ptm -51.39 -39.11 56.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.904 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -68.62 -30.78 69.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 73.52 110.839 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -63.62 -49.51 73.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 64.3 110.845 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.91 -49.62 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 74.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -33.83 76.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 75.11 110.906 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 50.8 ttp -64.6 -40.23 95.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.889 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -33.39 73.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 75.12 110.908 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -65.04 -53.67 42.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 72.4 110.889 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.7 p -62.45 -25.97 68.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 74.15 110.847 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -29.77 62.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.34 110.909 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.3 mt -79.49 -32.06 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 74.3 111.103 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.8 mt -62.77 -19.92 64.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 65.34 110.943 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -109.36 -28.32 4.39 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 72.11 112.508 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -63.48 -175.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.367 . . . . 74.2 110.916 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.1 t -132.51 171.81 13.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 74.42 111.141 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -53.95 -30.33 46.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.904 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -62.39 -41.73 98.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 75.25 110.904 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -84.02 -35.52 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 65.34 110.964 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tt -49.28 129.33 18.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.937 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.4 p -127.28 -173.4 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 73.21 111.148 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -52.13 -49.96 62.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 72.13 110.877 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 m -58.31 -30.23 66.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 72.12 110.886 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -74.43 -33.4 62.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 75.51 110.895 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -38.19 58.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.852 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.92 -36.87 78.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 75.13 110.854 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.2 m -73.96 -39.85 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 74.51 111.119 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -45.23 93.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 73.25 110.912 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.2 -43.71 85.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.909 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -64.05 -46.78 82.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 75.33 110.888 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 18.4 m0 -55.19 -51.31 66.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.893 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -22.94 65.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 74.5 110.884 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.32 -34.01 63.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.895 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.39 -43.9 47.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 63.44 110.885 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -67.17 -28.65 68.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 74.24 110.865 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -88.35 -16.24 33.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.906 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm -90.63 -14.38 32.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.913 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.28 1.02 12.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 64.34 111.082 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 49.1 35.5 7.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.862 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -174.06 161.27 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 73.44 110.9 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -102.99 90.85 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.897 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 mp -54.08 162.48 1.48 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.625 0.726 . . . . 72.1 110.862 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -47.55 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.718 2.279 . . . . 73.25 112.353 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.2 t -91.21 159.05 16.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 73.55 111.11 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.5 m -117.72 11.92 13.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 65.13 111.178 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 79.6 mt -123.22 67.59 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.953 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -131.73 169.0 16.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.05 110.916 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 5.5 p90 -144.04 175.07 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.872 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.0 pt -106.05 148.84 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 74.41 111.113 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.92 -29.22 59.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 72.31 110.894 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.71 -6.13 49.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 70.14 111.12 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.2 -10.47 28.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 63.15 110.851 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.445 HG13 ' CE1' ' A' ' 84' ' ' PHE . 8.8 mm -123.79 -35.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 75.32 111.116 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.524 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 2.1 ttp180 -49.02 -58.16 9.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 74.31 110.886 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.3 Cg_endo -69.81 4.47 2.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.647 2.231 . . . . 73.14 112.345 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.26 -32.84 7.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 74.14 110.843 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.414 ' HB3' HD21 ' A' ' 97' ' ' LEU . 78.5 mt -63.56 -108.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.274 -0.421 . . . . 72.35 110.911 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.502 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.2 tt0 -140.72 143.43 35.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 65.03 110.898 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -67.32 -39.61 85.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.91 18.35 4.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 75.23 110.867 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 94' ' ' GLN . 13.0 tp -80.29 -23.67 40.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 73.51 110.935 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.4 mtp85 65.24 164.54 0.12 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 74.5 110.87 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 73.14 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 75.31 112.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.4 p -98.67 -30.39 12.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.881 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.97 -51.4 52.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.857 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.16 -22.51 11.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 74.12 111.12 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -98.64 -19.35 17.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.876 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.4 -15.68 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 75.34 111.11 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.62 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 15.9 mm -46.08 -52.33 27.66 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 74.24 111.154 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.81 -31.86 19.5 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.667 2.245 . . . . 71.52 112.314 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.1 m -74.94 -16.99 60.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 65.32 110.924 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -92.74 -37.78 12.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 75.51 110.923 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -80.87 -30.47 35.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 72.42 110.869 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -56.28 -22.15 28.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.873 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 15.3 pt -103.17 -7.77 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 74.42 111.16 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 71.12 56.66 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 74.14 110.88 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -117.59 -31.35 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 73.51 110.896 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 pp -146.94 -179.47 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.23 111.118 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -143.86 173.56 11.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 71.53 110.879 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.43 126.37 10.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.87 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -113.49 105.94 13.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 73.25 110.87 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.83 101.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 75.2 110.896 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 13.7 m -112.9 81.59 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 75.53 110.909 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 68.59 -141.24 36.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.784 -0.722 . . . . 55.13 112.456 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 5.27 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.69 2.26 . . . . 72.42 112.38 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.1 mt -120.88 176.37 5.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.912 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 5.4 m -158.7 120.8 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 72.02 111.143 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 49.6 m-85 -99.26 172.62 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 65.14 110.888 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -152.41 124.62 8.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.923 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -126.58 156.26 73.47 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.658 0.742 . . . . 75.15 110.898 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 93.48 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.716 2.278 . . . . 73.21 112.344 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.728 . . . . 63.51 112.448 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.813 0.339 . . . . 73.31 111.092 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.24 146.63 27.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 74.33 110.887 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mp -96.93 -34.28 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 72.44 111.119 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.401 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 3.9 m -154.75 100.03 2.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.631 0.729 . . . . 73.03 111.091 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.3 Cg_endo -69.82 166.17 28.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.656 2.237 . . . . 71.35 112.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -59.38 162.8 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 75.35 110.922 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.2 pt -117.6 135.78 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.32 111.075 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.27 -174.54 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 74.44 111.198 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -58.11 -21.88 48.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 71.13 110.887 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.33 -28.86 67.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.856 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -105.04 -43.58 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.15 110.891 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -56.65 -33.98 66.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.908 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -8.87 57.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 75.42 110.877 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.22 -7.18 55.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 73.23 111.159 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.3 mp -108.05 133.41 20.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.645 0.736 . . . . 75.44 111.15 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 145.54 57.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 71.25 112.359 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.6 -24.03 30.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 75.13 110.901 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -62.52 -20.76 64.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.902 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -102.0 -37.12 8.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 75.41 110.894 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.0 mt -71.87 -53.82 12.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 74.14 110.947 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.38 -91.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 75.24 112.474 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.59 25.74 11.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.375 . . . . 72.11 110.891 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.4 164.76 11.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 73.24 110.926 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -148.14 161.95 40.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 72.41 111.149 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.79 -42.55 58.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 63.25 110.928 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -40.02 83.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.922 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.4 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -62.39 -46.11 90.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 73.44 110.934 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.4 mtt -74.47 -33.3 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 73.41 110.928 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -58.3 -42.59 86.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 71.22 110.902 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -81.27 -33.49 32.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.912 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.6 mt -66.13 -45.83 89.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 75.35 111.185 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.0 t -75.27 -33.6 28.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 64.3 111.119 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -69.69 -45.86 67.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 74.15 110.854 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -66.52 -55.24 16.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 72.34 110.935 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.401 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 24.6 ptm -52.09 -39.91 60.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 75.35 110.852 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -70.02 -29.13 66.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 73.41 110.865 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -64.96 -55.3 19.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 72.12 110.923 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -47.53 84.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.832 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.65 -30.02 71.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.907 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.8 tpt -67.64 -38.92 84.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.861 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -37.18 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 62.01 110.896 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 4.2 tttt -63.24 -53.09 58.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 73.01 110.878 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 t -62.38 -26.57 68.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.854 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -28.79 61.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 74.14 110.914 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.3 mt -81.27 -31.16 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 74.42 111.139 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 5.9 mt -63.14 -21.5 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 74.01 110.929 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -105.47 -35.14 3.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 72.12 112.504 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 tptt -55.82 176.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.885 0.374 . . . . 64.15 110.873 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 p -115.61 170.37 8.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 75.24 111.184 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -62.25 -22.4 65.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 74.12 110.862 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -72.11 -37.2 69.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 72.32 110.845 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -90.48 -31.42 16.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.913 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.79 130.84 29.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 75.05 110.937 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.6 p -115.53 -174.09 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 73.34 111.146 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.2 ttm-85 -60.44 -44.12 96.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 75.44 110.914 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 m -55.45 -35.88 65.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.839 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -73.9 -32.07 63.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 73.41 110.899 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.99 -44.81 46.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.43 110.848 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.43 -44.04 95.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.902 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.6 m -65.42 -42.62 93.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 63.31 111.123 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.19 -45.07 84.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 63.22 110.921 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.98 -31.23 72.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 70.52 110.836 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -74.43 -41.46 60.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.52 110.878 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -62.48 -40.18 95.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 75.3 110.923 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -24.32 56.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 75.03 110.891 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -72.04 -43.28 65.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.866 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.8 pp -75.27 -36.47 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 75.33 110.923 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -66.86 -33.98 76.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 71.23 110.88 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.3 ptm -88.63 -14.48 37.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.882 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -84.34 -21.54 30.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 71.14 110.883 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.77 1.02 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 72.12 111.09 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 43.91 34.86 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 73.02 110.89 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -152.29 128.59 10.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.884 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.77 90.89 5.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 74.32 110.883 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.66 159.82 31.14 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 65.04 110.938 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -49.03 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.684 2.256 . . . . 72.51 112.331 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.0 t -98.4 167.81 10.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 71.35 111.185 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.9 m -122.23 -21.58 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 71.12 111.134 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.1 mt -80.68 71.79 7.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 74.02 110.904 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.42 -174.81 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 75.41 110.864 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 2.4 p90 -152.11 174.36 13.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 73.34 110.87 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.8 pt -114.26 142.16 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 72.4 111.17 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -22.75 33.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 75.33 110.899 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -10.14 57.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.31 111.192 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -118.52 5.28 11.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 71.4 110.815 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.407 HG13 ' CE1' ' A' ' 84' ' ' PHE . 18.1 mm -124.18 -34.3 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 75.13 111.125 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.546 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 4.7 ttp180 -59.93 -56.84 31.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 75.14 110.879 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.3 Cg_endo -69.75 4.19 2.33 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 73.12 112.379 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.21 -35.35 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 64.12 110.87 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 78.3 mt -63.69 -106.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.964 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.93 134.44 28.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 71.15 110.916 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -64.9 -20.92 66.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 72.35 110.83 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -101.12 -3.47 29.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 75.3 110.869 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 30' ' ' MET . 16.7 tp -65.52 -23.89 66.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 72.43 110.905 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.507 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 9.9 mtp180 68.61 159.41 0.15 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.631 0.729 . . . . 75.34 110.829 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 54.1 Cg_endo -69.74 70.15 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.255 . . . . 61.51 112.352 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 m -98.41 -17.55 18.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.854 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.98 -49.25 60.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.854 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.83 -22.13 13.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 72.24 111.074 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -94.53 -19.57 20.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.3 110.878 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.62 -17.37 24.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 74.21 111.103 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.626 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.5 mm -46.61 -52.36 31.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 65.41 111.116 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.2 Cg_endo -69.7 -30.78 22.03 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.669 2.246 . . . . 75.55 112.384 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.4 m -76.9 -15.16 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.93 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -95.41 -33.63 12.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 70.14 110.938 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.57 -30.2 23.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.879 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -56.44 -21.68 27.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 61.24 110.843 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 19.1 pt -98.22 -10.57 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 73.32 111.107 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.7 58.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.851 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.4 mtp85 -124.51 -35.28 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 75.1 110.861 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 pp -142.05 171.0 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 75.55 111.087 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.1 174.6 10.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 73.1 110.846 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.08 129.22 15.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.865 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -113.31 106.4 14.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 74.3 110.891 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -80.48 102.6 9.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 73.44 110.84 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 6.7 m -126.5 95.13 4.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 64.44 110.864 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.448 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 58.78 -149.29 37.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 72.35 112.478 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 40.95 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.637 2.224 . . . . 75.44 112.351 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.448 ' H ' ' C ' ' A' ' 120' ' ' GLY . 60.8 mt -150.4 167.76 26.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 75.44 110.927 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.1 113.69 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 74.41 111.151 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 22.3 m-85 -96.17 163.79 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.4 110.886 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -150.9 118.55 6.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 65.44 110.945 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.26 157.02 56.92 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.659 0.743 . . . . 75.04 110.951 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 80.75 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 70.03 112.306 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 74.14 112.496 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.843 0.354 . . . . 73.43 111.099 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.06 158.44 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 72.2 110.898 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.58 -25.76 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 74.12 111.142 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 m -154.69 99.52 2.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 71.53 111.125 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 174.21 9.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 74.04 112.329 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.79 159.9 33.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.878 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.9 pt -115.56 116.76 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 63.21 111.159 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.21 -169.43 2.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 62.55 111.136 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -60.35 -20.72 60.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 73.11 110.89 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.47 -29.36 59.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 74.35 110.883 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -99.34 -34.24 10.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 74.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -68.6 -38.62 80.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.41 110.865 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -13.64 60.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.893 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 p -77.97 -9.7 59.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 74.21 111.094 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mt -102.7 127.55 29.94 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.628 0.728 . . . . 74.22 111.151 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 148.67 65.94 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.7 2.267 . . . . 73.32 112.395 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -56.36 -24.15 42.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.921 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -63.1 -20.41 65.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 74.03 110.886 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -102.24 -36.82 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 72.34 110.92 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.25 -53.01 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 71.3 110.936 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.94 -89.38 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 73.4 112.46 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -118.08 23.86 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 71.22 110.886 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.07 176.2 6.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.912 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -155.19 165.01 38.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 73.05 111.153 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -40.99 61.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.913 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.01 -41.74 97.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.9 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.6 mtt -62.68 -43.0 99.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 73.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.3 mtp -75.69 -35.28 60.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 72.22 110.893 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -57.88 -43.16 85.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.13 110.826 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -78.07 -34.67 50.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.901 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.8 mt -65.57 -47.03 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 73.21 111.15 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.6 t -73.24 -27.27 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 72.32 111.152 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -74.88 -53.76 8.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 74.14 110.847 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -59.82 -49.66 76.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 72.23 110.931 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 13.1 ttt -57.91 -45.26 86.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.88 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -62.76 -29.31 70.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.853 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.6 -52.24 40.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 75.41 110.804 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.497 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -66.14 -36.02 82.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 75.42 110.889 -179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.37 -28.66 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 71.21 110.894 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 tpt -71.67 -42.82 67.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 73.23 110.842 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -70.5 -36.99 74.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 75.11 110.892 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -63.9 -53.26 53.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.5 110.908 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 t -61.32 -26.75 68.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 73.45 110.864 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -28.55 62.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.15 110.863 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.4 mt -79.48 -32.66 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 72.42 111.188 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.55 -19.53 65.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 75.0 110.889 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.88 36.71 2.07 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.805 -0.712 . . . . 75.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.11 145.24 30.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 75.22 110.888 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.71 148.91 37.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 73.01 111.17 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -61.75 -20.19 63.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 64.33 110.902 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -64.33 -37.53 87.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 70.11 110.867 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -94.93 -31.67 13.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 63.52 110.914 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.21 128.68 37.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 75.22 110.851 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 27.3 p -131.01 -173.6 3.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 75.24 111.095 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -51.89 -38.85 57.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.888 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.52 -33.3 31.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 63.41 110.827 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -34.79 64.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 70.34 110.881 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.26 -30.99 48.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 73.12 110.848 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.96 -34.61 64.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 71.12 110.887 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -79.87 -42.63 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.03 111.14 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 mp -63.0 -48.05 80.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.896 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.22 -44.39 79.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 64.23 110.859 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -64.75 -43.89 91.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 72.14 110.913 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 27.4 m0 -68.2 -35.56 78.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 75.14 110.896 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -24.28 44.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 74.02 110.851 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -74.28 -42.77 59.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 75.3 110.866 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.1 -38.86 56.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.921 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -67.07 -31.24 71.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.885 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.4 ptm -85.55 -19.69 30.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 65.15 110.89 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.35 0.15 42.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 75.54 110.887 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.68 0.42 12.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 63.14 111.114 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 55.05 57.89 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.857 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -160.1 156.42 26.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.928 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.95 97.95 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 71.41 110.883 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.4 mp -99.38 111.2 60.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.639 0.733 . . . . 72.32 110.955 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -26.6 27.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.647 2.231 . . . . 73.11 112.346 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.6 t -83.21 157.42 22.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 73.35 111.161 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 58.0 m -115.84 -28.21 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 53.24 111.179 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.8 mt -96.09 73.33 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.12 110.876 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -129.12 160.4 32.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 70.3 110.915 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -133.32 174.71 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 72.14 110.861 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.9 pt -111.95 159.49 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 71.43 111.134 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.0 -25.69 59.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.845 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.73 -8.08 49.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 73.3 111.189 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.71 0.57 16.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 73.22 110.849 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.4 mm -123.36 -41.31 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 74.33 111.136 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.508 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 12.4 ttt-85 -56.25 -58.38 16.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.665 0.745 . . . . 74.44 110.842 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.4 Cg_endo -69.73 12.2 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.69 2.26 . . . . 74.41 112.323 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.451 ' H ' ' C ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -114.53 -23.62 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.884 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 25.5 mt -71.14 -113.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 72.02 110.919 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.55 136.39 50.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 64.43 110.896 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.19 -22.28 66.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 75.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -101.02 -3.47 29.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.51 110.868 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.3 tp -65.95 -18.82 65.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.44 110.931 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.469 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 13.0 mmt180 64.43 157.55 0.12 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.645 0.736 . . . . 73.52 110.863 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.4 Cg_endo -69.8 71.64 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.65 2.233 . . . . 74.15 112.393 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.0 m -97.71 -16.14 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 71.44 110.883 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.81 -49.86 57.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 74.41 110.889 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.04 -23.12 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 63.44 111.102 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.59 -23.0 17.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 73.33 110.894 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.29 -14.54 40.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.53 111.091 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.62 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.9 mm -45.82 -52.24 26.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.661 0.743 . . . . 73.03 111.129 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.75 -28.98 24.65 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 73.11 112.317 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 8.1 m -75.89 -16.93 59.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 75.52 110.871 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -90.92 -37.56 13.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.884 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.2 ptt85 -83.29 -28.83 28.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 75.12 110.874 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -56.51 -22.65 34.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.897 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 12.1 pt -99.26 -8.25 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 74.3 111.139 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 72.92 58.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 73.34 110.838 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -123.17 -40.15 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 75.15 110.887 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 pp -149.13 161.9 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 65.41 111.088 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -127.01 178.28 6.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.847 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.43 127.72 32.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 64.21 110.896 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.07 105.11 13.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.886 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.0 tpp85 -73.74 102.97 4.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 73.4 110.865 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 8.5 m -115.85 82.03 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 74.23 110.883 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.54 -139.02 34.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 71.21 112.487 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 1.78 4.16 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.724 2.283 . . . . 72.51 112.29 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.3 mp -119.75 177.89 4.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 75.12 110.918 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.4 m -157.61 125.77 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 64.35 111.136 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 68.2 m-85 -106.71 173.41 6.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 73.34 110.887 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -150.11 129.04 12.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 73.03 110.932 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -121.01 147.11 45.63 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.664 0.745 . . . . 74.2 110.944 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 80.68 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 71.44 112.384 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 73.15 112.482 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.796 0.332 . . . . 75.14 111.124 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -60.66 146.5 45.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.854 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.0 mp -93.89 -35.7 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 74.01 111.119 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.7 m -151.81 120.67 3.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.642 0.734 . . . . 73.53 111.107 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -168.97 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.695 2.263 . . . . 71.55 112.335 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -95.88 170.44 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 73.54 110.973 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.9 pt -115.99 121.29 67.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 75.52 111.123 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.32 -167.44 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 64.31 111.17 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.19 -20.12 51.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 64.12 110.896 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -82.77 -29.18 29.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 74.14 110.885 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -92.6 -37.92 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.24 110.872 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -68.65 -36.1 78.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 75.15 110.915 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -12.27 59.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 70.12 110.875 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 p -77.5 -10.03 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 73.3 111.124 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.53 128.0 26.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.636 0.731 . . . . 74.14 111.14 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 152.67 69.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 73.34 112.376 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -20.84 57.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 73.43 110.941 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -63.74 -24.88 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 64.43 110.874 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -99.99 -39.54 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 73.31 110.912 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.17 -54.22 16.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 75.41 110.939 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.31 -87.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 61.14 112.487 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -117.98 19.95 13.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 74.41 110.892 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.08 158.87 17.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 70.54 110.959 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.1 m -136.63 154.41 50.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.106 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.09 -41.53 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 75.23 110.905 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -38.32 87.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 70.21 110.839 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.1 mtt -64.43 -46.39 83.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 63.43 110.845 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 58.8 mtp -75.2 -32.22 61.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 75.2 110.915 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.53 -40.95 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 73.21 110.888 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -81.65 -27.7 33.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 72.4 110.893 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.2 mt -72.06 -47.67 53.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 74.33 111.103 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.1 t -73.52 -36.11 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 73.34 111.122 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -64.02 -51.89 62.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 63.33 110.876 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -39.27 94.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.23 110.893 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -46.22 83.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 71.31 110.848 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -66.96 -30.8 71.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.847 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.51 -57.81 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 65.43 110.854 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -60.29 -47.78 84.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 71.14 110.892 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.9 -31.05 72.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 75.22 110.91 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.9 ttp -66.18 -39.06 89.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 74.51 110.879 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -71.32 -36.52 71.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.931 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -63.05 -52.78 61.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 74.04 110.871 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 t -64.03 -25.24 68.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 73.32 110.852 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -28.86 62.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.02 110.891 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 mt -83.32 -31.96 8.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 75.22 111.136 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.04 -19.51 61.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.872 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.73 -27.58 4.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 74.21 112.469 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -63.24 -173.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 74.04 110.874 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.7 p -135.55 -175.61 4.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 72.41 111.157 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -64.35 -17.97 64.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 74.51 110.849 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.4 -44.55 71.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.879 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -87.87 -32.55 18.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 75.23 110.975 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -50.82 124.29 10.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.878 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.84 -173.18 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 72.24 111.118 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.3 mtm-85 -54.65 -50.11 68.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 71.43 110.835 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 m -60.58 -26.06 66.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 73.55 110.864 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -74.9 -32.64 61.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 72.25 110.878 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -38.45 60.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 72.34 110.828 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.63 -38.6 77.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.55 110.896 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.0 m -71.0 -40.13 75.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 75.31 111.129 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -42.58 97.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 75.54 110.919 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -37.59 87.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 64.14 110.853 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -74.44 -41.51 60.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.922 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -51.88 67.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.905 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -22.37 61.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.872 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -67.98 -45.78 73.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 73.21 110.876 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 pp -75.92 -33.45 59.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.93 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -71.31 -27.68 63.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 72.44 110.899 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.0 ptm -89.03 -23.22 22.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 73.44 110.867 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.35 -12.52 49.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 75.3 110.928 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.27 -1.93 14.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.15 111.06 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 46.84 45.35 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.851 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -179.17 124.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 71.31 110.923 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -79.71 90.8 5.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 71.01 110.869 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 mp -54.54 158.83 3.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.637 0.732 . . . . 72.31 110.884 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -49.2 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.736 2.29 . . . . 75.01 112.328 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.73 169.46 10.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 74.42 111.113 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.7 t -124.56 -32.26 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 75.01 111.153 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.1 mt -75.02 71.67 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 73.11 110.938 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.71 -174.32 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.3 110.894 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 3.6 p90 -159.14 163.61 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.35 110.924 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.3 pt -101.61 142.54 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.04 111.132 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.17 -25.84 59.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 72.02 110.897 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.82 -7.57 53.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.42 111.145 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -101.24 -20.2 15.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 75.13 110.898 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.491 HG13 ' CE1' ' A' ' 84' ' ' PHE . 18.4 mm -105.42 -32.49 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 74.23 111.131 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.474 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 1.6 mtp-105 -47.2 -60.87 3.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 74.31 110.858 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.0 Cg_endo -69.72 5.12 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.676 2.251 . . . . 71.2 112.346 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.05 -35.4 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 75.05 110.915 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.3 mt -61.5 -112.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 73.22 110.894 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.503 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 4.1 tt0 -139.28 143.28 37.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 74.25 110.941 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.67 -39.87 91.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.875 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -90.3 21.37 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.857 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.503 ' HB2' ' HB3' ' A' ' 94' ' ' GLN . 8.1 tp -79.69 -23.88 42.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 65.4 110.934 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.7 mtt-85 64.03 164.89 0.12 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.576 0.703 . . . . 74.45 110.863 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 71.84 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.254 . . . . 74.35 112.333 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.51 -31.89 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 72.04 110.882 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.3 -53.87 25.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 74.44 110.887 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.05 -22.44 15.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 63.45 111.095 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -95.44 -19.28 20.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 74.51 110.855 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.41 -18.51 23.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 73.15 111.132 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.625 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 6.8 mm -47.18 -51.95 38.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 72.11 111.126 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.75 -20.01 35.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.246 . . . . 74.1 112.334 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.9 m -85.65 -25.47 26.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 72.33 110.895 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.5 mt -78.88 -32.08 45.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 70.32 110.913 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -82.49 -32.64 28.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.815 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -57.86 -19.68 30.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.879 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 12.0 pt -102.8 -12.66 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 74.03 111.124 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 68.48 54.07 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 75.1 110.902 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.3 mtp85 -118.29 -26.76 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.865 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 pp -147.79 175.98 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 75.22 111.141 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -137.02 170.74 15.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.856 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.3 126.88 12.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.876 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -113.41 104.02 11.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 72.22 110.902 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.62 102.99 2.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 72.45 110.839 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 5.1 m -118.26 82.03 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.847 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 66.76 -139.71 37.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 70.53 112.474 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 1.74 4.13 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.26 . . . . 70.54 112.335 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.4 mt -118.0 177.06 4.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 75.01 110.87 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.0 m -161.72 121.6 2.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 75.11 111.105 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -96.01 167.68 11.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 75.15 110.898 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -150.35 117.41 5.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 73.45 110.933 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -122.37 161.04 45.41 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.636 0.731 . . . . 75.22 110.954 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 95.23 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 72.43 112.363 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.787 -0.72 . . . . 65.13 112.528 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.819 0.343 . . . . 72.41 111.138 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.27 165.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 73.22 110.88 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.58 -22.69 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 73.03 111.171 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.1 m -153.31 98.67 2.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.573 0.701 . . . . 65.43 111.09 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 157.28 60.79 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 73.44 112.317 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 171.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 63.43 110.91 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 pt -121.0 121.85 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 61.31 111.146 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.87 -166.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 72.41 111.153 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.75 -19.9 66.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.4 110.848 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -82.64 -30.23 29.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 74.23 110.902 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -92.87 -33.99 14.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 75.55 110.869 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -72.1 -35.87 69.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 64.45 110.836 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -67.05 -11.16 56.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 73.12 110.894 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p -76.73 -8.44 57.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.123 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.0 mp -107.52 129.72 23.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 74.23 111.138 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 148.07 64.12 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.718 2.279 . . . . 64.12 112.323 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -56.51 -24.05 43.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.887 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -62.9 -22.21 66.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 75.35 110.905 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -100.27 -38.23 8.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 73.45 110.887 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -70.06 -54.22 14.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 74.15 110.94 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.4 -90.15 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 65.32 112.492 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -114.29 23.17 13.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.824 0.345 . . . . 75.31 110.901 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.96 156.27 16.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 73.4 110.911 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 m -135.08 159.48 41.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 64.23 111.145 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.25 -44.49 43.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.42 110.914 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.16 -36.49 79.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.862 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.433 ' HA ' HD12 ' A' ' 97' ' ' LEU . 1.5 mmt -64.65 -47.98 76.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.865 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 95.3 mtp -74.93 -31.19 61.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.848 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -59.92 -48.07 83.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 71.51 110.927 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -26.2 56.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 73.02 110.896 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.2 mt -72.68 -52.24 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 74.35 111.151 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.5 t -66.58 -28.13 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 62.24 111.181 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -42.41 64.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.878 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -58.1 6.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 71.11 110.881 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -41.7 66.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 73.45 110.862 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -64.22 -30.9 71.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 71.24 110.855 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -66.31 -49.52 66.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 71.42 110.879 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.55 -50.42 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 71.35 110.873 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.19 -29.04 70.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 64.21 110.935 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 40.6 ttp -67.41 -40.54 85.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 74.44 110.879 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -70.34 -35.2 73.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 74.15 110.922 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -64.18 -53.14 54.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.929 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -62.03 -27.14 68.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 71.14 110.849 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -29.05 62.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.893 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.7 mt -79.45 -32.04 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.52 111.114 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.11 -19.08 65.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.24 110.893 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -106.67 -36.5 2.59 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 54.34 112.474 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -178.4 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 75.44 110.913 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.8 t -125.72 173.74 8.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 65.22 111.165 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -56.42 -25.98 51.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 73.52 110.928 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -65.31 -42.08 93.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.886 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -82.76 -35.83 26.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 75.21 110.908 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.92 130.05 21.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 74.32 110.922 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.64 -173.61 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 63.02 111.155 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -50.9 -52.68 39.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.898 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -55.97 -31.17 62.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 75.23 110.873 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -74.59 -33.68 62.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 65.41 110.883 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.98 -35.86 59.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 75.45 110.89 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.27 -35.63 71.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 70.04 110.867 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.4 m -75.17 -38.86 42.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 64.32 111.093 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.25 -45.65 83.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 74.55 110.92 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.15 -35.73 80.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 63.11 110.897 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -73.97 -41.59 61.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.851 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -60.0 -42.26 93.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.902 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.92 -23.86 58.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.81 -42.75 60.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 71.45 110.867 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.8 pp -73.8 -37.96 64.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 75.33 110.906 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -66.75 -34.08 77.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.889 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.1 ptm -88.49 -12.3 43.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.835 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -87.4 -20.28 26.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 72.2 110.91 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.56 -0.4 15.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 74.33 111.153 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 48.1 55.55 8.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.888 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 177.64 129.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.1 110.866 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -81.89 90.78 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 74.52 110.896 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.6 mp -56.13 159.01 6.4 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.635 0.731 . . . . 74.1 110.914 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -48.43 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.68 2.254 . . . . 72.31 112.381 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.36 160.43 16.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 72.34 111.103 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.1 m -119.24 -10.62 9.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 73.31 111.118 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.7 mt -101.03 74.85 1.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 72.15 110.946 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.04 -174.91 3.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 75.21 110.887 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 4.4 p90 -154.17 160.53 41.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.852 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.0 pt -99.97 142.65 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 73.14 111.126 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.39 -21.09 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 74.31 110.903 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -8.25 52.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.41 111.119 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -114.38 0.36 14.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 75.44 110.892 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -123.37 -35.44 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 73.53 111.091 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.507 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 11.4 ttm180 -48.81 -58.48 8.38 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.738 . . . . 75.14 110.9 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.71 6.17 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.728 2.285 . . . . 73.51 112.345 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.25 -27.46 10.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.51 110.862 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 22.2 mt -63.94 -112.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 71.51 110.925 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.406 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 2.4 mt-30 -142.63 125.84 16.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 74.02 110.911 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -63.91 -17.25 63.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 74.14 110.865 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -101.14 -6.91 23.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 75.02 110.839 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 30' ' ' MET . 12.4 tp -69.61 -18.16 63.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 74.22 110.9 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 65.08 164.51 0.12 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.56 0.695 . . . . 74.15 110.883 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 70.17 1.6 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.704 2.269 . . . . 62.04 112.323 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.42 -23.31 16.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 64.11 110.848 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.6 -50.92 59.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.907 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.68 -21.95 12.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 75.21 111.08 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -97.78 -20.33 17.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 74.21 110.944 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.36 -17.06 31.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 64.15 111.077 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.623 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 10.7 mm -46.32 -52.41 28.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 70.25 111.132 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.623 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.8 Cg_endo -69.79 -28.82 24.64 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.674 2.25 . . . . 74.24 112.352 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.1 m -76.16 -18.12 59.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.903 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -91.5 -35.92 14.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 74.51 110.923 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -83.51 -29.45 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 73.33 110.85 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -56.64 -21.21 25.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 63.33 110.84 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 11.5 pt -102.88 -7.86 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.44 111.135 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.27 56.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 75.34 110.853 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.43 -31.99 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 pp -146.59 179.72 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 73.21 111.168 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -143.41 172.54 12.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 75.14 110.877 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.35 126.89 15.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.896 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.59 106.39 14.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 65.51 110.894 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.25 102.48 10.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.889 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 4.8 m -125.35 97.59 5.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 71.1 110.884 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 57.58 -149.63 32.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 75.51 112.456 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 40.98 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.681 2.254 . . . . 74.33 112.329 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.444 ' H ' ' C ' ' A' ' 120' ' ' GLY . 54.2 mt -150.97 169.45 21.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 70.51 110.864 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -152.98 113.05 3.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 70.14 111.145 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -95.82 163.33 13.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 75.51 110.876 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -150.34 118.06 6.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 71.03 110.939 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -121.28 149.27 51.53 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.683 0.754 . . . . 74.32 110.927 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 89.31 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 72.13 112.378 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 61.52 112.473 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.82 0.343 . . . . 73.12 111.16 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.62 159.05 9.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.839 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.45 -22.55 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 72.11 111.162 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 m -153.16 99.21 2.71 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.642 0.734 . . . . 75.13 111.132 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 173.11 11.44 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.244 . . . . 74.13 112.355 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -71.78 161.76 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 75.44 110.922 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.6 pt -114.93 129.02 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.51 111.112 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.61 -171.69 2.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 74.24 111.153 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -21.0 61.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 72.44 110.928 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -72.52 -29.14 63.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 63.52 110.915 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -101.46 -45.33 5.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 65.2 110.923 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -55.85 -34.02 65.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 74.51 110.928 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -9.36 58.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 72.43 110.915 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.27 -2.4 37.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 75.1 111.127 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mp -114.61 132.82 22.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.644 0.735 . . . . 72.54 111.098 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 150.03 67.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 73.34 112.343 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -58.41 -24.39 59.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 74.13 110.898 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -63.69 -20.43 65.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 71.34 110.891 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -104.68 -33.71 8.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.5 -59.01 6.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 74.31 110.882 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.94 70.6 1.02 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.734 . . . . 65.4 112.495 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 67.06 11.59 8.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 72.12 110.863 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.27 159.1 31.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.901 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.72 154.28 45.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 72.25 111.129 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.95 -42.19 48.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.863 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.54 -39.8 85.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 70.44 110.871 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 61.8 mtt -64.05 -46.32 84.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 72.4 110.86 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.2 mtt -74.27 -31.81 62.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.858 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -60.46 -42.63 96.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.01 110.923 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -79.86 -27.88 40.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 72.43 110.873 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.3 mt -72.94 -45.89 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 74.33 111.127 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.37 -28.69 23.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 71.44 111.133 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -72.24 -52.89 14.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 63.33 110.823 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 4.2 mmtt -62.39 -50.19 72.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 73.2 110.875 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.6 ptp -54.63 -38.14 66.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 63.31 110.891 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -68.64 -29.25 67.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 74.04 110.834 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.66 -47.95 65.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.445 . . . . 63.24 110.821 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.02 -40.01 87.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.841 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.39 -32.09 66.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.897 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 60.0 ttp -67.54 -41.33 84.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.874 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -71.08 -34.41 71.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 72.35 110.925 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -63.8 -53.22 54.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.867 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.17 -24.93 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 63.53 110.858 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -28.87 62.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 75.12 110.878 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.0 mt -81.92 -31.8 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.123 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.62 -19.65 63.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 65.14 110.935 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -108.64 -35.26 2.46 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.729 . . . . 64.1 112.526 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -53.7 174.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 75.52 110.87 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.0 t -112.51 167.75 10.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 70.43 111.127 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.93 -23.54 65.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 71.13 110.902 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -75.77 -39.7 56.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 74.3 110.888 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -82.58 -31.57 28.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.878 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.64 136.51 26.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.896 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.25 -177.39 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 75.21 111.165 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -60.05 -44.23 94.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 71.43 110.86 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.2 t -58.4 -34.88 71.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.863 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -73.91 -32.45 63.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 65.12 110.896 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -44.36 50.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 73.51 110.913 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -63.71 -41.76 98.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 73.5 110.904 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.8 m -68.42 -37.12 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 72.1 111.105 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.06 -40.58 98.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 72.35 110.897 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.44 -35.62 73.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 70.12 110.831 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -73.75 -45.02 54.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 72.2 110.848 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -61.15 -41.19 96.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.891 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -22.22 58.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.882 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -74.19 -41.27 61.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 73.12 110.896 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 pp -76.29 -35.88 58.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 73.01 110.934 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -71.12 -26.61 63.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 72.34 110.883 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.8 ptm -89.3 -28.03 20.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 75.22 110.906 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -81.82 -12.62 58.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 75.4 110.882 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.52 0.74 9.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 73.41 111.112 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 43.48 38.52 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 73.04 110.881 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -162.56 120.41 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 75.35 110.908 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 -76.97 91.03 3.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 73.45 110.847 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -58.52 159.52 12.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.585 0.707 . . . . 75.35 110.913 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -49.48 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.694 2.262 . . . . 72.33 112.313 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.4 t -95.92 166.88 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 71.31 111.173 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.9 m -120.66 -17.28 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 75.11 111.17 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.0 mt -87.92 74.71 8.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 71.12 110.908 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.35 -174.22 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 75.42 110.901 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 3.7 p90 -156.47 163.43 39.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 72.23 110.865 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.3 pt -100.77 143.16 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 74.14 111.122 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.66 -26.52 56.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.91 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -6.75 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 72.24 111.133 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.8 -26.89 14.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 75.54 110.892 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.489 HG13 ' CE1' ' A' ' 84' ' ' PHE . 11.9 mm -101.45 -33.7 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 72.52 111.096 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.506 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.3 OUTLIER -48.02 -59.23 6.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.648 0.737 . . . . 75.12 110.921 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.4 Cg_endo -69.83 7.61 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.626 2.218 . . . . 65.2 112.36 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.409 ' H ' ' C ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -111.85 -27.47 8.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.878 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 45.6 mt -66.41 -116.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 75.21 110.935 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.482 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.7 tt0 -137.31 143.9 42.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 71.5 110.911 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -65.84 -39.15 90.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.878 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -89.51 21.14 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 64.32 110.882 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.482 ' HB2' ' HB3' ' A' ' 94' ' ' GLN . 11.2 tp -83.99 -19.32 34.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 71.15 110.909 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.424 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 56.7 mmt-85 61.28 161.36 0.11 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.627 0.727 . . . . 74.43 110.853 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.8 Cg_endo -69.8 69.51 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 61.22 112.324 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.3 p -98.54 -24.47 15.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 73.34 110.865 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.35 -52.52 44.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 75.45 110.898 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.4 -21.64 16.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 74.32 111.103 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -96.35 -21.11 17.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.45 110.905 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.92 -21.75 27.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 72.2 111.066 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.631 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.5 mm -46.88 -51.43 39.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.666 0.746 . . . . 74.23 111.165 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.7 Cg_endo -69.8 -22.95 31.16 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.659 2.239 . . . . 73.32 112.36 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.3 m -82.37 -26.41 32.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 64.02 110.902 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.2 mt -78.98 -39.06 35.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.955 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.07 -29.23 49.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.868 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -56.37 -22.14 29.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.87 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -104.58 -6.66 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 75.4 111.093 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 67.78 56.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.01 110.862 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.06 -30.59 4.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.838 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 pp -144.36 175.41 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 71.15 111.16 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -139.05 175.27 9.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 75.21 110.883 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -155.64 130.69 9.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 74.32 110.911 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.53 119.4 38.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -86.63 102.89 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.83 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.7 m -126.97 91.17 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 62.13 110.879 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 61.48 -150.26 44.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 41.43 112.449 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 38.79 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.698 2.266 . . . . 73.55 112.309 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.471 ' H ' ' C ' ' A' ' 120' ' ' GLY . 77.5 mt -146.33 166.1 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.55 110.893 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -153.29 114.32 4.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 73.33 111.16 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -96.35 168.67 10.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 74.22 110.86 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -153.11 117.86 5.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.904 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.46 153.11 58.88 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.688 0.756 . . . . 75.43 110.897 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 88.73 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 71.01 112.346 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 73.43 112.507 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.843 0.354 . . . . 73.34 111.151 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.53 149.13 43.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 72.41 110.862 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -100.9 -31.91 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 71.2 111.141 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.4 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 15.8 m -149.25 100.52 3.38 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.621 0.724 . . . . 75.34 111.139 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.4 Cg_endo -69.79 162.53 41.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 74.51 112.358 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -61.07 173.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 72.03 110.884 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 pt -122.73 122.43 65.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 75.53 111.134 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.05 -167.27 1.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 75.33 111.097 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -63.17 -20.67 65.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.904 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.71 -29.83 29.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 64.41 110.832 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -91.73 -35.35 14.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 71.34 110.86 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -71.24 -34.88 71.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 75.5 110.917 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -68.48 -10.96 58.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 74.52 110.902 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 p -77.17 -9.48 58.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 72.14 111.167 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.03 129.47 24.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.748 . . . . 75.32 111.145 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 148.61 65.28 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.675 2.25 . . . . 73.1 112.356 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -56.82 -23.92 47.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 74.45 110.878 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -62.9 -22.86 67.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 73.34 110.92 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -99.73 -38.18 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 71.24 110.894 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.0 mt -70.51 -52.95 18.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 70.23 110.943 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.66 -89.21 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 74.44 112.476 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -117.42 23.49 11.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.808 0.337 . . . . 75.43 110.854 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.71 165.4 12.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 74.12 110.885 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -143.89 162.17 36.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 73.23 111.102 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.74 -40.91 55.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 73.34 110.947 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.03 -41.7 98.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.851 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.9 mtt -61.88 -44.37 96.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 64.41 110.897 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 76.8 mtp -75.96 -34.2 59.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 43.53 110.919 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -57.92 -40.44 80.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.862 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -80.84 -35.64 32.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 73.35 110.873 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 50.9 mt -64.66 -46.31 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 75.03 111.119 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.3 t -74.77 -28.64 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.22 111.15 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -72.43 -53.37 12.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 72.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -62.24 -49.77 74.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.89 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.9 tpt -54.52 -45.68 73.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.902 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -65.13 -29.33 70.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 75.5 110.812 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -64.6 -57.14 9.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 71.24 110.835 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CG ' ' CE2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -58.71 -47.81 83.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 71.21 110.877 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.56 -35.65 80.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 62.33 110.912 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.5 ttp -61.92 -37.3 84.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 72.41 110.91 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -70.99 -48.19 54.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.947 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.453 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -51.45 -52.53 45.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.912 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 t -62.44 -35.38 79.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 74.14 110.857 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -27.3 62.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 75.4 110.845 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.6 mt -77.64 -31.11 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.427 . . . . 73.51 111.107 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 5.4 mt -62.21 -26.43 68.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.936 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -102.69 -32.13 4.91 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.77 -0.728 . . . . 65.3 112.46 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 171.62 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.346 . . . . 75.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.3 t -118.05 172.13 7.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.53 111.158 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -56.92 -27.02 60.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 74.35 110.842 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -63.15 -46.77 85.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.868 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -82.42 -33.35 28.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 75.52 110.933 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.58 122.5 6.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 75.51 110.933 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.7 p -120.86 -172.43 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 74.41 111.107 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -50.28 -53.75 26.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 71.14 110.879 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.0 t -56.99 -30.06 63.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 73.2 110.827 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -73.7 -37.05 65.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.814 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.12 -36.79 47.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 73.11 110.86 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.62 -40.4 88.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.86 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.0 m -72.48 -43.13 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 74.04 111.084 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -44.95 95.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 73.21 110.934 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -38.55 90.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.814 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -71.19 -46.69 60.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 73.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -43.34 73.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 73.41 110.916 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -72.97 -23.25 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 74.52 110.859 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -73.78 -38.69 64.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 74.31 110.895 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.8 mt -76.47 -35.26 58.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.5 110.897 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -71.2 -27.0 63.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 70.14 110.869 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.7 ptm -89.41 -25.05 21.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.45 110.863 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.02 -10.88 51.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 74.54 110.875 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.66 -0.6 13.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 62.31 111.104 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 48.39 30.6 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 74.04 110.841 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.2 tptt 179.72 138.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.02 110.95 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.5 mmt-85 -79.16 96.25 5.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 73.4 110.902 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 mp -49.1 154.62 1.31 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.567 0.699 . . . . 73.13 110.955 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.64 24.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 75.12 112.348 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.78 151.72 44.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.34 111.168 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.1 m -107.93 -22.45 12.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 75.33 111.144 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.3 mt -103.4 65.99 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.893 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -121.86 155.63 34.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 52.32 110.861 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.445 ' CE2' ' CG ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -128.48 176.84 7.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 74.22 110.874 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.9 pt -118.24 149.29 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 73.23 111.099 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.36 -28.62 69.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 73.24 110.938 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -9.3 44.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 72.23 111.104 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.1 2.71 18.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 74.02 110.848 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.8 mm -124.41 -41.05 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 74.44 111.163 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.491 ' C ' ' H ' ' A' ' 92' ' ' MET . 0.0 OUTLIER -56.75 -60.4 9.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.645 0.736 . . . . 75.01 110.887 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.1 Cg_endo -69.75 19.72 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.729 2.286 . . . . 75.23 112.295 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.491 ' H ' ' C ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -120.73 -26.2 5.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 74.43 110.88 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.62 -121.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.912 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.476 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 4.2 tt0 -122.48 145.71 48.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 71.31 110.919 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -68.06 -35.91 79.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.867 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -89.2 14.16 11.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 65.11 110.872 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 94' ' ' GLN . 13.8 tp -77.18 -22.34 52.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.926 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 64.38 163.9 0.12 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 75.41 110.854 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 69.62 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.683 2.255 . . . . 74.34 112.343 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 81.5 p -98.06 -25.45 14.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 71.51 110.872 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -50.93 -51.56 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 73.22 110.871 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.0 -22.97 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 74.41 111.067 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -97.87 -19.97 17.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 75.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.82 -18.99 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 55.21 111.069 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.629 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 19.7 mm -46.98 -51.56 39.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.603 0.716 . . . . 73.01 111.151 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.629 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.82 -29.81 23.01 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.698 2.265 . . . . 74.24 112.279 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 8.3 m -74.9 -20.14 59.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 74.45 110.872 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -88.47 -41.44 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 73.44 110.927 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -77.04 -32.28 56.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 72.55 110.859 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -55.9 -22.74 27.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 71.43 110.878 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 24.8 pt -104.43 -9.1 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 72.43 111.131 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.52 56.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 75.3 110.86 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.8 -36.08 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.882 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 pp -148.21 -179.03 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.21 111.143 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -143.8 176.28 9.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.896 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 124' ' ' PHE . 2.9 pm0 -144.84 133.65 22.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 72.51 110.927 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.79 105.3 13.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 75.53 110.884 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.9 tpp85 -73.24 103.05 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.905 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 15.7 m -117.77 82.24 1.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 62.13 110.873 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 69.08 -139.83 33.21 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 73.54 112.44 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 0.78 5.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 75.25 112.374 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.0 mt -116.0 172.79 6.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 72.02 110.95 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.9 m -152.53 121.9 6.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 73.3 111.168 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 84.1 m-85 -101.53 177.03 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 64.22 110.879 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -152.81 123.92 7.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 72.31 110.924 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.445 ' HB2' ' HD2' ' A' ' 127' ' ' PRO . 3.8 p90 -120.96 159.88 47.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 75.33 110.935 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 126' ' ' TYR . 53.6 Cg_endo -69.81 102.26 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 45.53 112.342 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 71.24 112.482 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.86 0.362 . . . . 73.34 111.094 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -79.86 173.94 12.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 72.34 110.893 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.06 -19.75 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 71.33 111.108 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 m -153.35 103.02 2.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 71.42 111.098 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 147.89 64.01 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.717 2.278 . . . . 75.51 112.315 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -51.15 167.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.912 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.1 pt -116.42 133.54 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 74.12 111.169 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.44 -172.85 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.14 111.095 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.29 -21.6 35.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 71.21 110.897 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -68.14 -29.69 68.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 73.21 110.912 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -104.42 -47.42 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 53.21 110.897 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -52.92 -33.16 49.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 74.12 110.854 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -21.48 52.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.931 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 t -76.88 -6.58 53.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 72.13 111.175 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.3 mt -119.87 94.81 48.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.667 0.746 . . . . 63.31 111.178 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 165.27 31.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 73.43 112.348 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -52.03 -24.4 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 75.42 110.915 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -61.25 -22.16 64.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 73.4 110.874 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -115.37 -32.16 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 64.45 110.925 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.5 mt -61.19 -57.84 10.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 75.42 110.943 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.52 76.98 0.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 75.23 112.49 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 68.15 12.08 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 65.34 110.859 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mt -91.64 172.24 8.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 73.22 110.904 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -156.59 163.45 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 72.44 111.121 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.38 -41.51 69.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.925 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -38.31 84.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.883 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -47.23 85.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 72.04 110.862 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 13.2 mtm -75.62 -34.49 60.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 74.12 110.909 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -56.44 -42.69 78.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 65.45 110.924 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -80.32 -35.09 36.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 71.31 110.913 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.3 mt -64.54 -46.39 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 75.42 111.126 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.7 t -75.23 -28.46 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 75.02 111.135 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -73.06 -47.89 40.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.896 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -66.4 -55.39 16.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 74.15 110.895 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -53.3 -38.62 63.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 63.41 110.861 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -69.12 -29.13 67.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.21 110.891 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.42 -51.94 45.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 63.35 110.828 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -63.22 -41.14 99.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 74.32 110.893 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.89 -31.55 66.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 64.24 110.911 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 37.0 ttp -65.67 -40.8 92.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.905 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -36.95 66.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 75.43 110.871 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.447 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 3.3 mtmt -59.51 -52.68 64.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 75.21 110.894 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 t -65.0 -32.99 74.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.843 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -30.16 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.2 110.942 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -83.52 -32.21 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 75.52 111.186 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 5.5 mt -63.65 -16.94 62.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.883 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -108.87 -35.93 2.29 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.777 -0.725 . . . . 71.52 112.479 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.52 174.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 74.34 110.885 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 p -120.87 177.45 5.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 63.52 111.111 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -59.39 -20.83 57.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 61.53 110.87 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -72.14 -31.75 66.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.931 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -99.78 -25.54 14.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.895 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tt -51.1 118.96 3.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 74.03 110.975 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.8 p -124.74 -171.78 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 71.35 111.131 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -50.49 -42.98 55.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.908 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.65 -28.64 69.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.87 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -74.48 -34.94 63.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 73.5 110.812 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.75 -35.95 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 71.34 110.875 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 63' ' ' VAL . 0.8 OUTLIER -69.48 -36.92 76.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.0 110.843 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.408 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 32.7 m -75.03 -41.77 45.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 64.1 111.13 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -45.58 93.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 70.52 110.963 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.95 -41.81 90.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.884 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -66.68 -46.72 74.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 72.14 110.899 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.34 -48.45 74.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.943 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -23.88 67.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 62.41 110.923 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -32.55 65.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 75.22 110.923 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.03 -40.18 39.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 74.24 110.906 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.81 -28.43 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 73.53 110.866 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.1 ptp -87.14 -22.38 25.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.889 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -83.5 -16.49 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.35 110.885 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.75 0.62 17.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 63.52 111.069 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 48.76 34.64 5.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 75.12 110.834 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.81 177.13 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 72.43 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -110.67 95.04 5.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 75.35 110.905 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 mp -51.12 161.54 0.71 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.656 0.741 . . . . 64.34 110.89 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -37.79 8.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 71.12 112.345 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.18 172.04 8.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 71.0 111.182 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.4 m -120.66 -20.38 7.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 74.12 111.099 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.9 mt -106.44 75.25 1.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 73.32 110.904 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -133.25 162.99 30.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.865 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.458 ' CE1' HG13 ' A' ' 89' ' ' ILE . 4.8 p90 -139.41 175.2 9.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 75.54 110.913 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.8 pt -106.51 146.45 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 73.22 111.144 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -26.57 57.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 64.33 110.895 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -7.12 53.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 74.32 111.133 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -97.24 -21.35 17.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.85 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.458 HG13 ' CE1' ' A' ' 84' ' ' PHE . 12.0 mm -109.14 -32.08 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 73.43 111.091 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.519 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 2.2 ttp85 -49.54 -58.31 9.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.54 0.686 . . . . 73.43 110.846 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.3 Cg_endo -69.72 4.82 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.692 2.261 . . . . 73.14 112.345 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -32.46 8.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.42 110.881 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 83.1 mt -64.45 -113.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.882 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.507 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.7 tt0 -141.63 145.86 35.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.914 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -69.31 -39.48 78.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 72.24 110.866 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.8 13.47 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 74.52 110.891 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 94' ' ' GLN . 12.2 tp -77.94 -23.31 48.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.925 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 64.41 164.09 0.12 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.699 . . . . 73.04 110.866 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 70.96 1.57 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.639 2.226 . . . . 74.41 112.359 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.57 -25.49 14.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 72.32 110.847 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -50.85 58.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.54 110.843 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.34 -22.03 11.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 62.53 111.06 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -99.43 -19.86 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 75.54 110.923 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.63 -17.77 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.32 111.112 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.629 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 17.2 mm -46.29 -52.12 30.32 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 71.13 111.106 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.629 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.3 Cg_endo -69.73 -32.7 18.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.632 2.221 . . . . 73.25 112.383 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.0 m -74.0 -17.59 60.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.35 110.875 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -92.51 -39.29 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 75.13 110.911 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -79.35 -31.22 42.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.913 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -56.72 -21.01 24.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 75.13 110.821 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 15.2 pt -106.46 -7.7 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 75.5 111.123 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 71.57 56.98 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.862 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -116.26 -33.06 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 75.23 110.887 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 pp -149.48 -178.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.124 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -146.08 174.29 11.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.846 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.29 131.29 23.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.871 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.43 104.61 12.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 73.34 110.906 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.74 101.55 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 73.14 110.852 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 17.5 m -117.35 82.17 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 74.3 110.903 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.402 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 69.67 -139.68 32.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 71.23 112.469 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.402 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 54.3 Cg_endo -69.73 0.72 5.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.248 . . . . 55.4 112.332 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.6 mt -114.01 175.81 5.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 72.01 110.913 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.4 m -157.54 115.78 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 65.34 111.168 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.429 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 64.4 m-85 -97.49 174.13 6.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 73.35 110.837 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -150.7 123.09 8.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 75.33 110.898 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.4 ' HB2' ' HD2' ' A' ' 127' ' ' PRO . 5.3 p90 -121.44 158.32 53.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.641 0.734 . . . . 75.1 110.979 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 126' ' ' TYR . 54.0 Cg_endo -69.76 105.93 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.657 2.238 . . . . 74.14 112.331 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 74.32 112.523 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.838 0.352 . . . . 75.44 111.158 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -64.3 174.15 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 75.04 110.826 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.413 HD11 ' HA ' ' A' ' 43' ' ' MET . 2.4 mp -121.61 -30.83 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.35 111.126 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 m -154.26 101.14 2.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.722 . . . . 72.1 111.122 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 177.97 5.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.638 2.226 . . . . 75.21 112.344 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -75.77 158.56 32.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 71.21 110.919 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.3 pt -112.61 125.5 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 73.52 111.119 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.48 -169.07 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 74.14 111.15 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.19 -19.94 65.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 75.52 110.897 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -78.99 -29.4 43.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 74.53 110.862 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -96.21 -33.83 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 71.44 110.853 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -71.5 -32.62 68.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 73.13 110.875 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -69.73 -9.14 53.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.22 110.926 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 p -76.7 -7.3 55.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 64.55 111.114 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mp -108.46 130.52 22.66 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.629 0.728 . . . . 74.54 111.16 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 149.21 66.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.252 . . . . 74.01 112.31 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.39 -21.67 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.895 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -65.62 -23.4 66.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 73.05 110.92 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -97.96 -40.7 8.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 75.21 110.92 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 mt -64.86 -54.8 25.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 63.23 110.93 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.24 -88.61 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 61.11 112.522 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -116.78 19.36 14.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 73.43 110.846 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.42 160.1 14.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 74.24 110.934 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.22 165.71 26.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.12 111.125 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.16 -41.99 60.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.941 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -39.7 91.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.885 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.2 mtt -62.62 -44.03 97.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.873 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.6 mtt -75.4 -37.27 60.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 73.54 110.862 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -56.12 -41.85 75.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 71.21 110.902 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -79.4 -31.2 42.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.894 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.1 mt -68.15 -46.83 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 75.41 111.097 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 t -74.35 -28.49 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 73.05 111.14 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -72.44 -53.65 11.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.879 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -61.52 -51.94 66.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 74.35 110.903 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 8.4 ptm -53.71 -41.29 66.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 65.1 110.897 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -68.43 -28.88 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 54.33 110.882 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -66.59 -45.4 79.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 75.02 110.849 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -67.79 -43.63 79.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.873 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.77 -26.39 62.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.41 110.893 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.413 ' HA ' HD11 ' A' ' 6' ' ' ILE . 3.6 tpt -71.46 -42.05 68.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 72.54 110.857 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -72.1 -37.74 69.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 65.53 110.91 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -63.22 -53.51 51.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 72.33 110.899 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 t -61.47 -28.11 69.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 64.3 110.873 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -30.13 66.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 75.42 110.908 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.5 mt -78.98 -33.07 15.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 64.3 111.119 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.34 -16.98 62.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.89 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.67 -28.35 4.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 74.31 112.485 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -174.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 75.22 110.891 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -121.36 -171.93 2.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 70.45 111.138 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.82 -5.77 47.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 73.32 110.873 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -88.69 -39.56 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 72.3 110.908 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -84.28 -27.61 27.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 73.33 110.88 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.25 129.1 20.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.937 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.0 p -113.35 -174.0 2.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 53.22 111.161 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.5 ptt85 -59.49 -46.31 89.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.911 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.1 t -62.97 -27.31 69.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 74.01 110.834 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -73.91 -31.92 63.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 72.51 110.869 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -43.95 43.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 75.04 110.847 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -64.14 -38.28 90.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 75.41 110.898 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -72.51 -38.62 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 72.43 111.126 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -44.14 97.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.45 110.919 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -32.19 70.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.88 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -75.68 -39.51 57.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 74.42 110.917 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -39.86 93.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 74.51 110.951 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -24.87 55.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.85 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -43.03 66.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 70.24 110.917 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.5 pp -75.57 -33.9 60.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 75.21 110.913 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.01 -33.64 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.919 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.02 -17.52 31.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.848 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.71 -16.19 42.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 71.42 110.903 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.4 -0.36 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 65.21 111.135 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 48.32 36.44 6.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 73.3 110.856 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.52 170.51 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.911 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -108.87 92.47 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 64.42 110.858 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.6 mp -50.64 162.59 0.54 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.709 . . . . 75.42 110.936 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -42.98 2.87 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 72.41 112.306 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.0 t -96.48 164.65 12.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 75.03 111.137 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.0 m -121.39 -8.33 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 64.14 111.101 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.7 mt -107.59 76.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 73.04 110.916 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.34 -175.69 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.901 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 3.8 p90 -155.58 165.74 35.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 65.45 110.858 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.1 pt -98.44 151.11 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 73.21 111.101 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.77 -24.24 59.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.912 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.0 t -75.07 -8.57 56.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 73.14 111.14 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -105.18 -16.84 14.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 71.3 110.845 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.0 mm -106.28 -33.64 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.52 111.159 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.496 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 9.4 ttp180 -54.08 -59.02 11.01 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.737 . . . . 74.45 110.917 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.79 4.98 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 74.04 112.326 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -105.41 -24.31 12.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 72.1 110.883 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.407 ' HB3' HD23 ' A' ' 97' ' ' LEU . 83.3 mt -70.12 -108.65 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.918 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -135.22 136.18 41.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 61.54 110.884 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.68 -21.11 66.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 65.11 110.855 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -101.3 -4.36 27.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.52 110.907 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.407 HD23 ' HB3' ' A' ' 93' ' ' LEU . 18.5 tp -65.63 -23.39 66.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 72.54 110.918 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 64.08 163.62 0.12 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.557 0.694 . . . . 72.41 110.897 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 70.19 1.61 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.699 2.266 . . . . 73.21 112.338 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.9 p -98.4 -17.42 18.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 64.42 110.847 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.91 -51.16 54.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 72.45 110.908 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.12 -22.61 11.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 70.25 111.098 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.13 -22.05 17.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 71.23 110.902 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.31 -19.71 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 70.14 111.101 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.625 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 13.9 mm -46.84 -51.75 36.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 72.5 111.106 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.77 -25.91 28.06 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 63.02 112.319 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.8 m -80.7 -19.68 44.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 75.2 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -92.14 -32.97 14.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 72.33 110.892 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -85.73 -27.78 25.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 75.43 110.877 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -56.03 -21.22 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 75.02 110.849 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 14.1 pt -99.78 -13.08 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.43 111.13 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.28 56.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.9 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -120.98 -33.14 3.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 72.34 110.865 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 pp -140.6 177.94 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.53 111.134 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 29.0 mtp180 -144.55 175.62 10.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 73.22 110.84 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -148.09 129.41 14.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 64.02 110.895 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -113.13 107.08 15.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 73.54 110.883 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -80.5 102.34 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.34 110.917 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 4.8 m -125.25 94.56 4.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.898 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 59.62 -149.26 40.5 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.758 -0.734 . . . . 71.32 112.505 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 39.97 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.247 . . . . 71.03 112.362 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.46 ' H ' ' C ' ' A' ' 120' ' ' GLY . 43.8 mt -148.73 168.05 23.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.896 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.14 111.38 3.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 74.24 111.176 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 23.2 m-85 -95.18 166.2 12.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 72.43 110.881 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -150.93 117.7 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 73.34 110.89 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -123.27 157.04 62.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.66 0.743 . . . . 73.33 110.912 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 88.93 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.639 2.226 . . . . 74.35 112.328 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 74.11 112.487 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.816 0.341 . . . . 74.21 111.116 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -88.59 167.36 13.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 70.14 110.818 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 mp -105.38 -30.33 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 74.51 111.1 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 m -149.39 116.64 3.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.731 . . . . 73.24 111.153 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -167.58 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.665 2.243 . . . . 75.45 112.349 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -92.98 162.9 13.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 72.42 110.916 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.1 pt -112.39 133.12 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.104 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.41 -170.96 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 74.13 111.123 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -58.24 -21.69 49.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 75.25 110.893 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.96 -28.9 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 75.33 110.887 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -101.64 -45.78 5.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 72.53 110.868 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -55.28 -35.16 64.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.866 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -15.18 62.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.911 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.39 -7.73 56.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 74.31 111.174 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.34 124.52 35.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.707 . . . . 75.42 111.086 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 149.39 66.97 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.634 2.223 . . . . 73.32 112.343 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -54.98 -26.35 36.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 75.03 110.885 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -62.79 -20.04 64.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.903 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -105.32 -35.24 7.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 65.43 110.914 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.5 mt -60.58 -59.6 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.914 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.82 72.05 0.72 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 33.15 112.504 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 mmt-85 67.31 11.43 8.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 73.04 110.891 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mt -78.67 166.58 22.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.946 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.8 158.99 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.03 111.128 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -41.4 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.906 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.42 -38.15 83.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 73.1 110.919 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -48.67 76.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 73.05 110.897 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 79.9 mtp -74.47 -32.67 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 73.51 110.92 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 36' ' ' SER . 3.3 t30 -58.6 -45.64 88.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 75.2 110.895 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.406 ' HG3' HD23 ' A' ' 97' ' ' LEU . 8.5 pt-20 -78.22 -27.96 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 64.23 110.879 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.0 mt -71.65 -44.06 70.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 73.21 111.16 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.9 t -74.1 -35.26 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.33 111.156 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' ' 32' ' ' ASN . 3.1 p -71.23 -36.66 71.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.884 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.89 -49.78 19.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.879 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.41 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . 12.7 ptp -55.2 -42.87 73.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 72.43 110.871 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 38' ' ' MET . 0.0 OUTLIER -70.43 -30.64 67.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 70.3 110.887 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -64.02 -49.33 72.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 72.02 110.881 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -66.05 -42.94 88.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.892 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.19 -27.7 64.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.91 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 43.4 ttp -70.39 -42.96 71.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.25 110.89 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.78 -35.79 72.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 75.13 110.899 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -64.38 -52.61 57.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.915 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 t -62.56 -26.2 68.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 74.42 110.882 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.38 -29.89 62.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.892 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.4 mt -80.03 -32.06 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 74.52 111.177 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.8 mt -61.48 -21.1 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 73.44 110.939 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -108.95 -28.64 4.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 60.22 112.495 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -61.99 -174.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 73.44 110.9 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.0 t -123.59 168.0 13.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.136 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -56.54 -26.29 54.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 64.13 110.842 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -71.45 -38.11 71.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 71.51 110.88 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -84.57 -30.42 25.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.944 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.94 129.4 23.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.42 110.956 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.7 p -112.2 -173.76 2.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 64.02 111.138 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -58.49 -55.98 27.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 74.13 110.87 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.4 m -53.87 -28.94 39.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 75.15 110.887 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -73.94 -31.34 62.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 74.3 110.858 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -42.56 48.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.854 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.89 -38.59 89.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 71.31 110.878 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.0 m -71.46 -40.41 72.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 74.02 111.164 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.64 -44.79 95.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 73.33 110.884 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -38.46 89.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.896 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -73.16 -35.65 66.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.871 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -47.29 84.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.951 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -23.87 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 63.31 110.856 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -70.14 -45.23 67.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 72.01 110.89 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.4 pp -74.68 -29.97 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 75.33 110.885 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -68.58 -35.85 77.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 74.42 110.867 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.6 ptm -87.99 -15.1 37.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.874 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.54 -14.89 36.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 74.33 110.883 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.25 -2.16 17.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 74.33 111.09 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 47.25 38.65 7.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 62.34 110.915 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.5 tttp 179.55 172.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.906 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.08 90.41 3.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 73.3 110.901 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 mp -51.57 160.99 0.9 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.619 0.723 . . . . 72.42 110.918 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -47.14 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.668 2.246 . . . . 70.53 112.361 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 m -88.14 157.82 18.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 71.3 111.167 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.4 m -115.38 -24.08 8.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 73.03 111.13 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.2 mt -95.63 76.18 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 75.05 110.924 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.47 -173.76 3.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.854 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 4.4 p90 -158.12 166.49 32.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 73.13 110.877 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.7 pt -101.62 142.38 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 75.12 111.169 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.31 -25.44 59.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 74.21 110.935 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -6.58 48.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 74.33 111.109 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -102.51 -16.83 16.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.875 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.449 HG13 ' CE1' ' A' ' 84' ' ' PHE . 13.1 mm -109.69 -38.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.22 111.131 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.512 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 3.5 ttp180 -49.07 -58.78 7.75 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.56 0.695 . . . . 74.02 110.843 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.8 4.27 2.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.624 2.216 . . . . 51.04 112.316 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.12 -31.87 8.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.882 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.93 -111.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 70.12 110.926 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -138.73 131.55 29.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 75.35 110.921 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -60.28 -21.61 62.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 71.1 110.886 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -101.75 -2.69 29.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 70.53 110.841 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.406 HD23 ' HG3' ' A' ' 33' ' ' GLU . 18.0 tp -65.11 -19.48 66.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 63.22 110.904 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.465 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 8.8 mmt180 65.69 157.94 0.13 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.619 0.723 . . . . 75.41 110.836 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 54.1 Cg_endo -69.72 69.73 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.685 2.256 . . . . 75.04 112.36 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 m -97.94 -15.07 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 75.32 110.813 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -51.17 55.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 72.22 110.889 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.68 -21.73 19.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 74.53 111.108 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.89 -18.88 19.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.87 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.65 -17.64 24.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 72.11 111.093 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.611 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.6 mm -45.53 -52.9 21.14 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 74.53 111.138 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.8 Cg_endo -69.76 -30.7 21.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.693 2.262 . . . . 72.52 112.334 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.7 m -73.91 -16.87 61.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 63.12 110.864 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -92.65 -36.34 13.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 75.11 110.957 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -86.24 -23.82 26.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 72.24 110.869 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -56.08 -24.03 37.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.04 110.894 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.83 -2.72 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.44 111.112 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 68.4 56.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 75.21 110.861 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -115.83 -31.07 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 73.13 110.915 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 pp -148.49 -179.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 73.3 111.129 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -141.86 174.67 10.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 75.15 110.914 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.95 126.7 13.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.846 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -113.05 104.7 12.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 73.22 110.92 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.32 103.56 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.892 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 10.0 m -119.81 81.63 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 74.43 110.832 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 69.23 -140.83 34.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 65.41 112.494 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.47 3.49 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 71.13 112.375 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -116.66 176.44 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.903 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.5 m -161.59 120.32 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.5 111.123 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -96.67 167.85 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 63.22 110.903 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -151.48 117.17 5.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 72.32 110.901 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.16 145.68 42.57 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.721 0.772 . . . . 74.51 110.888 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 89.95 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.269 . . . . 71.14 112.318 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 73.43 112.47 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.865 0.364 . . . . 72.32 111.082 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.58 145.42 28.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 74.11 110.87 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 mp -94.43 -34.7 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 75.2 111.16 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.409 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 10.7 m -152.47 100.55 2.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.613 0.72 . . . . 74.44 111.15 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.9 Cg_endo -69.75 169.51 18.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.23 . . . . 74.11 112.334 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -63.33 165.9 7.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 62.31 110.959 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.1 pt -119.06 121.99 68.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 75.5 111.149 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.75 -171.36 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 73.1 111.117 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -19.64 60.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.884 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -77.86 -28.81 50.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.871 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -98.24 -46.82 5.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 74.51 110.885 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -56.84 -28.89 62.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 73.11 110.878 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -71.59 -8.69 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.935 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 t -76.79 -10.55 59.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 61.33 111.115 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mp -105.51 130.27 23.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.613 0.721 . . . . 75.12 111.081 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.39 62.81 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.67 2.247 . . . . 72.25 112.373 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -56.33 -24.16 41.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.911 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -63.0 -23.66 67.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 72.22 110.912 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -97.72 -41.0 8.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 74.35 110.927 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.33 -55.23 22.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 65.42 110.962 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.99 -93.08 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.75 . . . . 75.33 112.459 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -109.61 24.65 12.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 74.12 110.869 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.33 170.96 8.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.897 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -153.31 161.34 42.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.55 111.189 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.14 -42.45 60.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 74.53 110.926 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -41.22 92.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 75.45 110.936 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.8 mtt -62.78 -44.62 95.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 71.32 110.908 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.3 mtm -74.89 -33.12 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 74.32 110.901 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -59.46 -41.94 90.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.15 110.894 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -80.28 -29.7 38.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.913 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.9 mt -71.43 -45.79 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 75.35 111.112 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.9 t -74.77 -29.33 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 75.44 111.157 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -73.31 -39.38 65.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 73.02 110.864 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.47 -48.62 39.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 73.52 110.916 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.5 ptp -56.66 -42.15 78.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 70.23 110.867 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -31.35 70.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.889 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -61.87 -56.38 19.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.4 110.877 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -47.59 85.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 71.15 110.886 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.93 -29.65 70.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 74.32 110.901 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.3 tpt -67.84 -37.94 82.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 73.4 110.859 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -36.51 71.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.892 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 56.8 tttp -64.66 -52.36 57.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 75.54 110.855 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.8 p -62.24 -27.52 69.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 75.53 110.843 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -28.84 62.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 74.22 110.919 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.9 mt -80.43 -31.74 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 74.44 111.129 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 5.6 mt -62.86 -22.43 66.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 72.35 110.927 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -104.25 -36.72 3.05 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 73.14 112.455 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 169.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.918 0.39 . . . . 73.54 110.84 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.21 160.53 15.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 71.2 111.148 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -55.9 -25.21 41.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 72.51 110.855 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -75.79 -37.31 59.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.849 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -82.43 -30.18 30.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 62.31 110.957 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.42 134.29 28.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 72.14 110.924 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.7 t -114.37 175.04 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 62.43 111.158 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -53.32 -49.37 67.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.7 m -52.7 -33.51 48.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.898 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -73.74 -31.93 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 74.45 110.925 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -75.84 -41.55 52.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.898 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.43 -36.93 84.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.861 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.1 m -73.66 -38.48 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 71.14 111.139 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.0 -47.56 84.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 73.35 110.898 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -33.45 75.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 73.01 110.866 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -74.11 -40.32 62.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 74.15 110.857 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 18.9 m0 -62.06 -48.11 81.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 70.53 110.917 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.83 -23.91 59.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 74.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -69.51 -43.09 73.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.34 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.3 pp -76.36 -34.07 58.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 71.51 110.908 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -74.28 -27.18 60.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 74.2 110.884 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.1 ptm -88.75 -23.34 22.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 63.32 110.863 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.34 -12.18 41.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 64.12 110.873 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.67 -0.13 12.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 73.11 111.113 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 48.52 55.01 9.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.884 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.78 124.84 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 75.1 110.9 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -80.72 91.1 5.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.86 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 mp -65.09 150.73 95.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.616 0.722 . . . . 74.01 110.887 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -48.59 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 71.51 112.384 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.46 154.84 34.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 63.25 111.138 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.1 m -118.92 -17.91 8.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 72.11 111.156 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.9 mt -100.79 77.29 1.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.893 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.93 -173.84 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.871 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.458 ' CE1' HG13 ' A' ' 89' ' ' ILE . 4.2 p90 -155.05 170.26 22.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 73.34 110.817 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.5 pt -104.39 147.7 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 75.22 111.083 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -29.54 60.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 75.54 110.903 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -6.44 49.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 72.45 111.182 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -101.35 -6.03 24.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 73.33 110.825 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.458 HG13 ' CE1' ' A' ' 84' ' ' PHE . 11.1 mm -123.73 -40.98 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 75.42 111.145 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.495 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 7.9 ttp180 -48.3 -59.73 5.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 74.43 110.852 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.4 Cg_endo -69.76 12.36 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 75.1 112.344 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.463 ' H ' ' C ' ' A' ' 90' ' ' ARG . 0.1 OUTLIER -118.7 -25.85 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 72.02 110.891 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 40.9 mt -65.21 -116.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.443 . . . . 73.55 110.91 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.31 141.66 47.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 75.15 110.872 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -68.91 -25.11 64.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 70.11 110.854 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -100.46 -3.73 30.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 73.41 110.83 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.8 tp -65.98 -19.31 65.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 70.3 110.917 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.3 mmm-85 63.51 155.62 0.12 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.709 . . . . 74.34 110.852 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 70.9 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 72.41 112.302 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.0 p -96.95 -12.8 22.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 75.11 110.893 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.62 -51.5 55.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 65.22 110.873 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.03 -21.57 12.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 75.32 111.09 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.02 -20.84 17.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 74.54 110.915 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.28 -19.95 29.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 71.24 111.067 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.636 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 12.8 mm -48.87 -51.08 57.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.59 0.709 . . . . 74.3 111.113 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.0 Cg_endo -69.72 -15.93 37.48 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.75 2.3 . . . . 75.42 112.329 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 13.1 m -94.99 -17.32 22.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 60.14 110.936 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -95.25 -22.32 17.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 73.42 110.929 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -87.55 -31.56 19.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.845 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -56.4 -21.16 23.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.85 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.401 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 5.7 pt -101.1 -9.15 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 75.45 111.144 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 69.69 14.39 8.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 74.45 110.902 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -69.21 -31.58 70.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 75.2 110.901 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.4 pp -150.27 -178.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 64.43 111.132 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.9 mtp85 -144.33 175.22 10.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 75.41 110.877 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -149.55 127.28 11.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.42 110.86 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -113.23 103.94 11.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.909 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.71 102.11 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 75.23 110.856 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 4.9 m -117.18 81.83 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 75.22 110.88 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 66.95 -140.17 37.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 53.24 112.472 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 3.14 2.92 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.697 2.265 . . . . 75.02 112.368 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.6 mt -117.0 175.68 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.888 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.6 m -161.23 118.65 2.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 74.45 111.139 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -96.4 168.51 10.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 73.32 110.841 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -151.28 118.4 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 73.52 110.941 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -124.34 149.35 60.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.65 0.738 . . . . 73.42 110.925 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 95.43 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 62.53 112.339 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 72.03 112.491 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.83 0.348 . . . . 75.5 111.107 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.43 163.3 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 75.54 110.856 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.77 -20.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.03 111.162 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.1 m -154.28 99.7 2.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.643 0.735 . . . . 73.15 111.101 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 164.17 35.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.24 . . . . 74.22 112.316 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -69.11 170.81 9.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 64.5 110.882 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.1 pt -121.89 114.5 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 74.03 111.114 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.72 -169.19 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 75.4 111.122 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 25.6 t0 -61.6 -21.94 64.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 71.04 110.855 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -84.2 -26.03 29.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.893 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -95.79 -23.58 16.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 65.14 110.909 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -89.01 -25.38 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 74.31 110.869 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -67.37 -9.51 42.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 73.33 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 t -76.86 -19.73 57.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 65.04 111.173 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.5 mp -103.92 113.66 65.2 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.592 0.71 . . . . 73.05 111.115 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 158.97 55.16 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 74.32 112.349 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -20.8 29.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.896 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -61.8 -20.24 63.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.978 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -111.01 -36.28 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.938 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 mt -71.11 -51.87 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.857 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.75 -92.82 0.11 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 74.11 112.474 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -106.89 24.04 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 75.44 110.839 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.74 170.8 7.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 74.52 110.949 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.08 164.08 39.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 64.43 111.166 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -52.6 -43.26 65.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.945 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.84 -39.28 84.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.845 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.401 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -61.36 -47.52 85.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.878 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.9 mtm -75.2 -33.85 61.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 73.12 110.88 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -56.59 -42.04 78.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 73.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -81.22 -34.24 32.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.901 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.0 mt -64.01 -46.39 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 75.32 111.124 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.6 t -75.74 -33.43 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 75.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -67.75 -53.35 27.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 72.14 110.876 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -64.87 -50.75 65.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 70.02 110.921 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 28.5 ttt -52.87 -43.25 65.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.851 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -65.96 -29.54 69.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 63.42 110.858 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.12 -52.78 53.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.842 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -43.42 98.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 74.13 110.876 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.3 -29.1 67.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 75.31 110.919 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 56.5 ttp -69.7 -38.39 76.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 73.31 110.855 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -72.24 -38.24 68.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 19.9 tttp -63.26 -51.71 65.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 71.45 110.916 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.5 p -63.21 -27.79 69.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 75.41 110.846 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -30.03 65.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 75.32 110.921 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mt -80.19 -32.14 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 73.35 111.16 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 5.8 mt -61.38 -21.61 64.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 74.04 110.916 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -106.46 -33.96 3.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 53.0 112.482 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -174.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 73.21 110.924 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.3 p -129.8 177.74 7.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 62.44 111.155 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.46 -15.08 62.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.52 110.881 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -50.11 17.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.43 110.905 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 -84.78 -27.69 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 73.3 110.884 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tt -56.79 127.92 34.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.918 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.4 -173.69 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 75.1 111.176 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -60.2 -54.3 47.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 74.22 110.919 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -30.59 42.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 52.44 110.883 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -75.86 -30.7 58.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 70.22 110.926 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.439 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.82 -34.6 60.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 75.23 110.856 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -75.47 -36.3 60.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.863 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.23 -41.55 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 65.51 111.136 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 61' ' ' ARG . 4.4 pp -71.3 -33.53 69.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 75.21 110.877 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.82 -30.94 68.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 72.3 110.871 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -78.32 -44.86 24.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 72.52 110.863 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -41.26 85.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.927 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -74.11 -30.36 62.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 73.41 110.866 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.68 -41.58 98.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 72.13 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.14 -34.73 56.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.889 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -57.58 -45.67 84.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 72.04 110.87 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -36.34 34.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 72.51 110.879 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -18.47 42.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 71.44 110.881 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.5 1.17 14.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 73.3 111.117 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.6 tpp85 49.15 31.91 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.877 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.4 mttt 179.81 136.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.876 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 85.7 mtm-85 -75.35 101.54 4.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 74.25 110.878 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 mp -50.52 162.37 0.55 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.573 0.702 . . . . 73.32 110.928 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -7.22 20.52 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.712 2.275 . . . . 74.01 112.349 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.3 m -132.3 155.44 48.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 74.21 111.141 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.4 m -107.42 -23.7 12.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 74.21 111.139 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.5 mt -104.88 65.53 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 74.13 110.934 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -119.52 153.97 34.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.912 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -125.82 177.72 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 72.43 110.874 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.6 pt -117.13 148.05 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.31 111.13 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.49 -25.1 67.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -7.26 51.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 65.02 111.127 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -109.64 -2.02 17.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 70.54 110.871 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.8 mm -123.84 -40.9 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 75.23 111.161 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.583 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -53.55 -55.06 38.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.622 0.725 . . . . 74.13 110.841 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.9 Cg_endo -69.73 1.14 4.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.66 2.24 . . . . 73.42 112.338 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.98 -32.01 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 73.31 110.88 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.15 -104.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 74.45 110.915 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -139.94 137.13 34.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.916 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -67.05 -20.75 65.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 65.34 110.875 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.25 -3.63 28.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.834 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' A' ' 30' ' ' MET . 16.7 tp -65.06 -21.71 66.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.943 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? 65.14 164.18 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 73.42 110.907 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 71.67 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 72.14 112.37 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 p -97.74 -22.49 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 75.41 110.871 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.37 -49.54 61.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 74.25 110.887 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.33 -22.5 12.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 62.13 111.082 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.46 -20.96 18.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.889 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -90.88 -13.44 33.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 63.43 111.049 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.615 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.5 mm -45.6 -52.69 22.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 74.32 111.117 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.2 Cg_endo -69.71 -28.83 25.01 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.649 2.233 . . . . 73.51 112.399 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.6 m -77.4 -17.76 57.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.86 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -88.56 -37.0 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.876 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -82.35 -30.28 30.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 75.54 110.911 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -56.92 -21.47 30.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 72.55 110.857 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 13.1 pt -101.09 -9.79 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 74.44 111.093 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 72.03 57.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.902 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 71.5 mtt-85 -120.78 -38.33 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.882 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 pp -148.17 163.44 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 73.24 111.141 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.3 176.69 6.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.15 110.89 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.22 125.57 18.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 75.31 110.907 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -112.57 108.74 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.906 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -75.87 101.63 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.868 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.9 m -115.06 82.13 1.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 75.52 110.893 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 68.9 -141.2 35.82 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 53.23 112.508 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 4.22 2.33 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.662 2.241 . . . . 75.21 112.332 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.6 mt -121.28 175.6 6.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.868 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -153.47 125.6 7.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 75.32 111.126 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.437 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 87.5 m-85 -105.54 168.92 8.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 71.45 110.89 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -150.34 130.54 13.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 74.34 110.93 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -123.9 154.27 67.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.739 . . . . 74.31 110.953 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 81.6 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.252 . . . . 74.53 112.346 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 54.32 112.531 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.8 0.333 . . . . 74.33 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.99 147.4 47.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 75.22 110.907 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -97.06 -32.96 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 73.42 111.131 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.405 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 13.5 m -152.56 100.6 2.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.731 . . . . 74.25 111.117 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.9 Cg_endo -69.72 163.05 39.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 72.33 112.349 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -54.14 168.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.91 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.2 pt -120.86 127.41 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 63.24 111.15 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.04 -171.7 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 73.21 111.158 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -20.68 54.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.838 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -74.37 -28.96 61.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.891 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -100.04 -46.32 5.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 63.35 110.893 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -55.39 -34.72 64.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 74.54 110.904 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -9.84 58.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 75.33 110.926 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.93 -2.32 36.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 72.14 111.193 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mp -113.95 130.69 23.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.593 0.711 . . . . 74.43 111.175 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.27 64.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.271 . . . . 64.42 112.343 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -23.32 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 72.45 110.884 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -63.5 -24.18 67.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 74.14 110.925 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -98.38 -37.55 9.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 75.42 110.905 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.5 mt -68.62 -48.97 62.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 70.44 110.923 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.82 -85.57 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 53.21 112.478 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -127.43 19.42 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 72.41 110.884 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.27 174.79 8.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.921 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -152.14 162.69 40.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 75.33 111.123 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.34 -41.25 60.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 70.11 110.923 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.37 -43.79 96.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.877 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.4 mtt -60.69 -44.23 96.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 71.13 110.91 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 34.8 mtt -74.79 -34.36 62.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 75.12 110.853 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -57.01 -41.12 77.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.894 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.403 ' HG3' HD22 ' A' ' 97' ' ' LEU . 12.7 pt-20 -81.52 -33.16 31.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 64.24 110.865 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.0 mt -66.24 -46.71 86.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 73.42 111.157 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.2 t -75.01 -32.38 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 73.35 111.136 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 t -68.65 -51.93 36.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 73.31 110.9 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -63.29 -47.7 81.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 75.32 110.951 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 27.5 tpp -55.6 -45.95 77.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 61.54 110.888 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -66.75 -28.74 68.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 71.43 110.883 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -63.27 -56.09 19.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 71.23 110.882 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.446 ' CG ' ' CE2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -62.35 -43.22 99.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 74.55 110.88 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -27.78 67.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 75.22 110.944 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 57.6 ttp -71.04 -37.87 72.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 75.32 110.916 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -71.64 -38.98 70.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 75.45 110.908 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -64.16 -51.87 61.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 75.52 110.894 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.0 p -61.14 -29.0 69.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 61.12 110.84 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -29.85 63.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 71.32 110.886 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.9 mt -77.61 -32.2 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 72.31 111.12 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.54 -20.95 66.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 72.43 110.922 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -104.23 -37.26 2.92 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 61.11 112.475 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -62.13 171.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 75.23 110.894 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.15 170.64 7.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 64.31 111.151 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -58.9 -24.06 61.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 74.53 110.858 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -69.24 -39.44 78.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 64.02 110.944 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -82.41 -32.1 29.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 74.3 110.928 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.81 130.06 24.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.948 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.75 -175.29 2.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 75.41 111.121 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -54.29 -54.87 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 72.32 110.905 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 m -53.83 -33.61 56.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 74.13 110.83 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -74.01 -31.79 63.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.852 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -76.12 -41.06 51.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 74.12 110.894 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.95 -37.5 84.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.25 110.867 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -72.87 -39.02 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 74.5 111.136 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.22 -45.3 93.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 72.31 110.918 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -36.11 81.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 72.31 110.85 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -71.38 -49.38 42.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 72.45 110.862 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -41.61 71.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.921 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -25.27 61.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 75.13 110.82 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.92 -35.81 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 65.11 110.893 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.2 mt -76.16 -37.63 57.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 73.32 110.956 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -69.9 -29.34 66.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 70.02 110.904 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.3 ptm -89.18 -16.81 30.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 74.41 110.853 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -96.57 -7.94 33.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.906 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.54 -0.19 14.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 74.51 111.147 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 49.53 27.56 2.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.876 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -179.44 121.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 75.24 110.893 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -62.06 97.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.897 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 mp -49.8 154.8 1.66 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.648 0.737 . . . . 72.22 110.885 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -7.7 21.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.253 . . . . 73.11 112.363 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.7 t -126.8 159.15 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.35 111.169 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.6 m -114.12 -23.49 9.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 73.21 111.162 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -102.92 67.46 0.96 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.894 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -122.46 154.75 37.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.861 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -128.38 175.61 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 72.11 110.888 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.6 pt -113.53 152.32 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 75.44 111.165 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -76.02 -23.43 55.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 75.45 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.13 -5.4 38.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.22 111.118 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -112.9 -2.53 14.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.868 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 43.9 mt -125.71 -39.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 71.24 111.149 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.574 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -49.7 -54.8 27.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.72 . . . . 71.11 110.867 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.8 0.02 6.28 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.717 2.278 . . . . 73.03 112.337 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.76 -29.84 11.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.897 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.422 ' HB3' HD21 ' A' ' 97' ' ' LEU . 25.8 mt -57.55 -101.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 75.21 110.898 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.515 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.9 tt0 -142.92 144.8 32.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.871 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -67.64 -39.94 84.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.883 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.09 18.03 4.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 73.51 110.892 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 94' ' ' GLN . 13.2 tp -79.15 -24.49 43.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.03 110.871 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 64.34 164.71 0.12 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.665 0.745 . . . . 74.52 110.821 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 67.36 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.651 2.234 . . . . 75.43 112.379 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.21 -27.15 13.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 74.51 110.891 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -54.07 23.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 74.14 110.866 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.31 -22.69 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 63.24 111.059 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -95.8 -18.95 20.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 72.34 110.883 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -90.03 -20.91 22.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 73.24 111.072 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.62 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.8 mm -46.6 -52.8 28.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.637 0.732 . . . . 74.24 111.162 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.71 -19.39 36.4 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.738 2.292 . . . . 74.25 112.329 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 34.0 m -83.24 -33.88 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 54.11 110.919 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.402 ' O ' HG12 ' A' ' 111' ' ' ILE . 3.2 mt -70.73 -53.88 13.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.932 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -60.61 -31.0 70.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.82 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -59.05 -20.59 54.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.87 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 108' ' ' LEU . 0.2 OUTLIER -101.46 -3.47 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 73.45 111.133 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 68.26 49.52 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 74.52 110.88 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -109.76 -40.62 4.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.35 110.831 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 pp -148.47 -177.78 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 70.31 111.164 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.32 171.12 14.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.883 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.96 130.18 29.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 64.41 110.932 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.22 105.67 14.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 72.32 110.908 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -75.3 103.32 5.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 65.44 110.831 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 35.0 m -117.8 81.96 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.9 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 70.6 -140.88 32.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 72.31 112.467 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 2.23 3.7 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.663 2.242 . . . . 64.24 112.334 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 34.6 mt -117.68 170.89 8.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 75.24 110.904 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.23 120.14 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 61.2 111.131 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.452 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 96.3 m-85 -100.57 172.61 7.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 71.35 110.868 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -152.65 127.91 9.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.495 . . . . 73.32 110.955 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -126.06 155.83 72.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 73.54 110.949 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . 0.669 ' O ' ' C ' ' A' ' 128' ' ' GLY . 53.9 Cg_endo -69.76 112.24 3.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.266 . . . . 74.35 112.32 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . 0.669 ' C ' ' O ' ' A' ' 127' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 75.42 112.513 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.845 0.355 . . . . 75.43 111.085 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.33 145.51 43.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 75.03 110.915 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.0 mp -92.8 -36.63 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 72.14 111.148 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.9 m -154.47 99.52 2.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 74.3 111.113 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 173.92 10.34 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 75.1 112.343 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -51.59 156.24 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 73.24 110.938 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -119.21 112.02 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 73.45 111.133 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.48 -171.69 1.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 62.35 111.161 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -23.26 62.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 74.15 110.866 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -53.02 -30.47 35.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.35 110.884 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -102.06 -42.25 6.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 72.21 110.883 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -61.97 -23.68 66.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 75.22 110.85 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -72.94 -28.06 62.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.868 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.82 -3.39 41.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 71.35 111.124 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -127.1 88.62 53.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.728 . . . . 74.3 111.133 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -175.76 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.715 2.277 . . . . 75.12 112.335 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -55.22 -23.5 22.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 74.35 110.888 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -68.72 -16.44 63.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 63.44 110.931 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -112.56 -41.12 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 75.3 110.9 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mt -79.98 -48.28 13.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 75.03 110.904 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.48 -60.82 4.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 53.13 112.516 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -148.62 15.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 74.51 110.915 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.42 175.35 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 71.23 110.924 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.12 163.35 37.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 75.3 111.125 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.03 -42.37 49.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.9 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -41.47 93.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 71.33 110.889 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.4 mmt -63.27 -41.66 99.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 72.33 110.871 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 87.6 mtp -75.17 -37.55 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 73.41 110.915 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -57.04 -42.07 79.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 74.42 110.911 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -79.26 -27.54 42.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.886 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.8 mt -73.97 -45.46 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 73.11 111.155 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.8 t -73.77 -28.28 24.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 74.01 111.087 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -73.94 -42.83 59.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 65.11 110.863 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -68.48 -49.14 61.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 73.03 110.905 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.3 ptp -58.58 -38.92 78.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 72.32 110.914 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -68.39 -29.78 68.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 70.43 110.903 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.37 -51.87 46.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.917 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -61.94 -46.05 91.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.846 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.82 -35.31 80.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.882 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 51.4 ttp -62.76 -39.45 94.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 71.41 110.862 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -70.37 -35.26 73.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.891 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -62.55 -53.96 46.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.87 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -62.67 -26.31 68.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 73.55 110.827 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -29.07 62.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.42 110.893 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.9 mt -80.02 -32.64 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 74.34 111.126 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.04 -19.54 63.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 75.13 110.905 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.4 -26.03 5.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 65.0 112.467 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -174.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 74.4 110.921 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.0 p -133.89 173.55 11.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 75.43 111.194 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -56.0 -24.78 41.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 75.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -66.31 -38.13 87.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 75.3 110.886 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -90.78 -33.99 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 72.12 110.914 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tt -50.11 128.84 19.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.02 110.925 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.7 p -124.96 -172.86 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 72.54 111.181 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -52.78 -53.31 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 75.31 110.828 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -56.1 -29.62 60.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 71.22 110.898 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -74.59 -33.35 62.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 71.12 110.837 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.92 -36.55 59.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 74.51 110.887 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.88 -36.59 72.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 71.34 110.856 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.6 m -73.79 -39.55 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.088 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -44.95 88.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 75.11 110.909 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.49 -35.12 79.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.867 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -74.73 -43.15 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 75.45 110.851 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -58.44 -41.37 84.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.978 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -76.25 -24.35 54.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 71.44 110.884 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -42.01 60.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.896 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.6 pp -73.76 -41.3 62.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 73.14 110.889 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -65.58 -31.51 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 72.25 110.896 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.7 ptp -88.73 -22.59 23.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.892 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.51 -22.52 57.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 72.51 110.919 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.12 -0.35 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 62.32 111.123 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 43.24 37.01 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 71.42 110.845 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -158.42 132.2 7.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.84 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.2 91.97 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 75.54 110.859 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.37 160.37 13.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 75.31 110.91 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.38 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 72.42 112.382 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.58 159.73 16.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 73.15 111.112 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.1 m -118.82 -8.56 10.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 64.31 111.133 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 mt -103.59 74.49 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 75.1 110.936 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.89 -175.4 3.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 75.35 110.901 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.468 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 2.2 p90 -152.25 171.83 17.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.879 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.7 pt -108.07 143.42 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 75.43 111.095 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.97 -25.55 58.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.923 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.39 -8.29 55.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 75.21 111.137 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -112.44 -2.83 14.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.883 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.409 HG13 ' CE1' ' A' ' 84' ' ' PHE . 40.8 mm -123.2 -8.0 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 74.41 111.142 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.527 ' C ' ' H ' ' A' ' 92' ' ' MET . 17.1 ttt-85 -86.52 -60.81 0.26 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.605 0.717 . . . . 74.42 110.873 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.81 22.64 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.648 2.232 . . . . 72.41 112.331 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' MET . . . . . 0.527 ' H ' ' C ' ' A' ' 90' ' ' ARG . 12.1 ptm -122.68 -26.56 4.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 75.54 110.872 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.0 -129.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 70.15 110.914 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.446 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 23.7 mp0 -114.39 157.21 23.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 70.35 110.917 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -77.74 -20.81 52.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 75.01 110.846 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.89 -8.67 23.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 73.12 110.872 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.446 ' HB2' ' HB2' ' A' ' 94' ' ' GLN . 22.6 tp -65.49 -31.06 71.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 74.12 110.887 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 61.7 162.5 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 75.23 110.852 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 70.76 1.56 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.703 2.269 . . . . 75.43 112.322 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 m -94.31 -15.99 23.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 74.04 110.826 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.19 -53.52 34.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 73.2 110.892 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.05 -23.78 8.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.081 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -94.19 -22.95 18.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 75.42 110.928 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.77 -9.14 44.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 70.34 111.105 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.632 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.0 mm -49.14 -50.93 60.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.634 0.731 . . . . 75.05 111.129 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.73 -33.27 17.03 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.728 2.286 . . . . 65.31 112.332 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.0 -8.47 58.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 71.11 110.861 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -101.2 -27.95 12.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.914 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -91.36 -32.12 15.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 75.32 110.876 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -56.87 -21.27 28.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.854 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 20.7 pt -96.61 -11.4 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 73.42 111.131 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.4 53.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 75.44 110.901 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -117.52 -28.91 5.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.875 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 pp -147.67 179.01 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.01 111.177 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -141.36 169.77 16.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 73.51 110.913 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.71 129.21 16.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.53 110.93 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -114.86 106.62 14.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 71.23 110.888 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.88 101.9 10.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.876 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 4.2 m -125.69 97.15 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 75.14 110.936 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.44 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 57.33 -149.64 31.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 74.3 112.486 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 41.58 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.707 2.271 . . . . 73.15 112.33 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' A' ' 120' ' ' GLY . 62.2 mt -150.29 167.53 26.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 71.2 110.887 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.76 111.56 4.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 74.3 111.14 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -95.71 162.89 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 74.43 110.92 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -150.55 118.27 6.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 73.22 110.871 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.05 157.98 59.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.688 0.756 . . . . 73.43 110.902 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 97.7 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 73.01 112.351 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 73.05 112.545 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.81 0.338 . . . . 74.03 111.158 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptp85 -71.06 177.47 3.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.858 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.35 -17.12 5.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 71.33 111.163 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.6 m -153.53 106.14 2.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.678 0.751 . . . . 71.54 111.144 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 179.6 3.58 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.625 2.217 . . . . 71.23 112.381 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.86 164.36 26.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 71.44 110.878 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.401 ' HB ' ' HB2' ' A' ' 14' ' ' GLU . 13.0 pt -118.24 126.76 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 74.32 111.151 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.61 -170.82 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.23 111.127 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.39 -21.64 37.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.858 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -70.36 -29.37 66.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 74.04 110.933 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 14.6 mm-40 -101.88 -46.0 5.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 74.2 110.888 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -55.42 -34.27 64.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 74.42 110.845 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -21.66 49.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.864 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 p -76.72 -10.3 59.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 72.53 111.15 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.5 mt -113.7 100.02 51.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 73.22 111.128 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 167.14 25.32 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.708 2.272 . . . . 75.12 112.371 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -56.53 -20.27 19.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.87 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -61.6 -17.51 55.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 70.21 110.925 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -117.25 -36.89 3.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.12 110.903 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.73 -49.35 59.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.887 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.25 -80.38 0.62 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.752 -0.737 . . . . 52.41 112.499 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.9 mtm-85 -128.56 11.19 6.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 74.23 110.891 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.77 -179.54 5.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.952 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -157.61 167.61 29.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 74.42 111.128 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.14 -42.14 50.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 72.2 110.93 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.72 -42.68 97.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 71.31 110.859 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.6 mtt -63.49 -39.93 95.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 63.33 110.883 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.9 mtp -74.2 -39.11 63.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.14 110.901 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.44 -43.9 84.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 74.3 110.907 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -75.24 -27.38 59.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.881 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.5 mt -72.88 -50.47 32.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 75.14 111.091 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.8 t -67.5 -27.84 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 72.31 111.13 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.07 -45.56 56.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.808 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -44.77 69.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 73.41 110.899 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 39.0 mtm -58.14 -52.61 64.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 74.03 110.861 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -32.4 73.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 64.33 110.863 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.95 -52.02 67.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 63.44 110.886 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.73 -49.84 71.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 73.12 110.883 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -32.05 72.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 74.32 110.89 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 45.6 ttp -66.89 -37.63 84.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 75.23 110.884 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.7 -36.12 75.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 73.33 110.89 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -65.07 -54.19 33.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 75.45 110.845 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.7 p -60.5 -27.35 67.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 74.14 110.825 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -29.04 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.894 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.2 mt -80.24 -31.54 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 75.34 111.125 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 mt -63.21 -22.53 66.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 75.53 110.954 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -102.07 -37.47 3.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 44.21 112.479 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.67 165.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 72.41 110.923 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.4 168.98 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 61.13 111.133 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -65.56 -20.53 66.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 75.12 110.897 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -75.01 -41.47 59.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 75.53 110.906 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -85.53 -32.2 22.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 75.14 110.901 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.86 139.98 31.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 74.25 110.925 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.4 p -115.62 -174.05 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 73.33 111.149 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -64.95 -37.51 87.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 73.33 110.894 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.3 m -57.57 -36.81 72.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.888 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -72.26 -32.28 66.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 74.24 110.843 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -38.92 47.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 75.35 110.886 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -67.11 -37.6 84.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.846 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.3 m -73.87 -40.65 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 74.22 111.175 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.17 -43.57 95.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 73.32 110.913 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -35.42 74.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.899 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -72.74 -40.92 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.898 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -65.26 -36.44 84.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 75.3 110.904 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -25.84 57.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 73.22 110.856 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -40.55 62.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.86 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 pp -75.28 -31.94 60.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 72.15 110.899 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -72.27 -32.88 67.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 75.33 110.861 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.9 ptp -89.25 -13.07 38.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.852 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -91.26 -19.0 23.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 73.3 110.905 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.49 -2.73 23.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 53.11 111.088 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 45.87 56.66 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.902 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -159.83 150.19 18.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 74.14 110.927 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -93.76 97.27 10.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 75.34 110.849 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.7 mp -95.83 107.77 36.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 73.31 110.945 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 57.73 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.722 2.281 . . . . 73.23 112.374 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.95 155.41 13.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 53.25 111.135 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.6 m -134.44 29.06 3.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 73.5 111.09 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.0 mt -139.2 57.77 1.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 74.05 110.916 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -133.01 175.03 9.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 74.43 110.862 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 4.4 p90 -144.47 167.93 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 75.54 110.872 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.1 pt -104.84 144.38 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 73.52 111.147 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.78 -25.5 55.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.876 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -7.47 54.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.51 111.161 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.49 -30.43 12.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.833 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.479 HG13 ' CE1' ' A' ' 84' ' ' PHE . 12.4 mm -99.09 -26.19 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 74.32 111.182 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.512 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 1.1 ttp180 -49.21 -58.16 9.6 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.572 0.701 . . . . 72.23 110.871 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.76 4.33 2.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.653 2.235 . . . . 72.51 112.339 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.2 -36.13 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 73.54 110.853 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.93 -115.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 74.23 110.912 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -142.86 149.57 38.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.925 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.21 -54.89 29.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 71.45 110.889 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -72.3 -8.25 53.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 65.31 110.802 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.1 tp -94.65 -15.75 23.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 73.41 110.918 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.5 ' N ' ' HD2' ' A' ' 99' ' ' PRO . 8.3 mtp180 -51.02 -58.91 8.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 72.11 110.868 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 98' ' ' ARG . 53.2 Cg_endo -69.81 -5.22 15.71 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.648 2.232 . . . . 75.25 112.301 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.02 -17.16 29.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 65.53 110.829 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -54.92 27.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.883 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.54 -23.79 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.094 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -94.14 -22.33 18.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.04 110.911 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.21 -21.44 29.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 71.33 111.115 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.623 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.1 mm -47.94 -51.87 44.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 74.13 111.14 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.623 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.73 -29.74 23.55 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.713 2.275 . . . . 75.23 112.347 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 20.9 m -76.73 -15.25 59.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 63.13 110.884 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -93.78 -37.78 11.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 75.42 110.909 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.4 ptt85 -82.32 -28.59 31.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 74.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -56.41 -21.56 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 70.31 110.873 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 11.5 pt -103.56 -7.18 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 74.12 111.111 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 69.76 55.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.823 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -117.2 -29.6 5.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 72.34 110.861 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 pp -148.79 -179.19 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 73.31 111.078 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -140.67 173.38 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 74.55 110.835 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -149.12 126.73 11.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.866 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -112.67 103.96 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 74.25 110.901 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.86 101.79 3.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 75.34 110.903 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 11.4 m -119.26 81.67 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.877 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 68.72 -141.48 36.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 71.21 112.49 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 2.97 3.0 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 72.03 112.39 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 62.5 mt -115.84 170.3 8.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 73.15 110.897 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.2 m -156.6 116.26 3.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 73.24 111.124 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -95.43 168.42 10.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 75.45 110.917 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -152.48 118.13 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.937 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.3 149.56 49.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.703 0.763 . . . . 73.32 110.902 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 91.27 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 63.45 112.323 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 73.41 112.49 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.864 0.364 . . . . 72.41 111.143 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.59 159.53 1.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 75.45 110.868 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.79 -25.15 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 74.05 111.145 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 m -153.54 99.03 2.65 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 63.01 111.149 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 171.24 14.76 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.646 2.23 . . . . 75.32 112.4 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -67.01 163.53 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 62.33 110.934 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.87 115.12 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 74.43 111.106 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.18 -172.33 3.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 60.14 111.192 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -26.69 49.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.874 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -60.74 -29.14 69.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 75.34 110.852 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -108.11 -39.54 5.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.883 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -55.37 -37.35 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 75.04 110.873 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.29 -0.7 57.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.905 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.43 HG23 HD11 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -78.87 -3.82 46.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 74.3 111.129 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.43 HD11 HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -115.91 150.16 44.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 64.24 111.131 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.87 67.46 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.717 2.278 . . . . 74.33 112.341 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -64.64 -22.65 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.25 110.92 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -62.56 -16.52 56.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 72.21 110.934 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -106.94 -31.0 8.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 75.41 110.929 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.5 mt -61.19 -57.73 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.92 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.51 69.29 1.32 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.686 -0.769 . . . . 72.41 112.516 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 67.17 12.63 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 72.23 110.898 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mt -71.94 156.92 38.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 74.14 110.909 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.06 153.04 48.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 74.44 111.143 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.91 -40.58 43.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 73.15 110.895 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.41 -37.84 82.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.867 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 50.9 mtt -66.91 -45.58 77.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 75.25 110.893 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 89.8 mtp -75.33 -29.6 60.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 75.45 110.846 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -64.61 -41.62 96.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 74.35 110.933 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -79.81 -29.28 40.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 72.14 110.916 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.7 mt -70.45 -48.19 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 72.52 111.167 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.3 t -73.01 -31.24 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 74.51 111.17 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -69.27 -50.75 43.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 62.32 110.88 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -62.44 -52.98 61.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 75.33 110.854 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.413 ' HG2' ' CZ ' ' A' ' 84' ' ' PHE . 19.3 mtp -51.58 -45.95 63.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.25 110.882 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -62.62 -32.1 73.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 73.41 110.904 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.69 -46.91 83.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 64.43 110.872 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -64.13 -53.26 52.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 72.12 110.878 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.48 -34.19 76.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 64.02 110.915 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.1 tpt -62.51 -39.49 93.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 75.04 110.89 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -69.55 -35.1 75.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 74.35 110.888 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 29.6 tptt -62.36 -54.7 36.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 71.04 110.873 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -63.26 -24.38 67.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 53.14 110.862 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -29.4 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 73.02 110.88 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -82.51 -32.31 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 74.33 111.096 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 5.3 mt -63.41 -18.5 63.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 65.21 110.907 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -109.75 -34.0 2.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 50.45 112.447 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -51.98 171.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.355 . . . . 70.24 110.904 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 p -122.95 -175.34 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 55.04 111.141 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -69.5 -10.99 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 74.24 110.893 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -80.33 -44.79 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.914 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -92.13 -24.51 19.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 74.14 110.876 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.7 tt -54.02 122.6 10.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 71.45 110.907 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.6 p -128.13 -174.18 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 75.42 111.177 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -51.78 -45.93 63.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.427 . . . . 73.13 110.903 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -51.42 -33.7 31.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.868 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -75.51 -34.33 60.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 75.42 110.882 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.04 -38.94 66.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.866 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.8 pt-20 -69.16 -40.91 77.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.4 110.85 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.1 m -70.41 -38.05 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.32 111.093 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -63.53 -43.89 95.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.944 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -45.29 83.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 71.43 110.84 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -65.11 -45.33 85.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 65.43 110.908 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -55.16 -50.09 70.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 64.55 110.923 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -64.03 -22.51 66.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 74.1 110.877 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -34.49 63.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.912 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.99 -45.26 35.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 75.01 110.932 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -66.16 -28.48 68.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 72.15 110.873 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.3 ptm -88.17 -17.61 30.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 72.03 110.852 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.22 -16.14 36.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.877 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.36 1.4 9.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 70.01 111.125 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 51.09 31.14 6.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 75.45 110.859 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -175.45 170.57 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 75.25 110.918 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 52.6 mmt-85 -110.55 90.8 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 74.33 110.908 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.9 mp -52.3 161.48 1.03 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 75.44 110.914 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -31.3 21.01 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.743 2.296 . . . . 74.15 112.334 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.5 t -106.42 142.51 35.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.54 111.142 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 m -105.48 22.48 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 72.42 111.151 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.9 mt -131.02 61.42 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.944 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -127.31 162.93 25.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 75.33 110.853 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 6.4 p90 -139.35 174.63 10.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 64.32 110.905 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.0 pt -106.49 144.8 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 74.34 111.148 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.6 -26.96 62.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 75.23 110.931 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -6.91 52.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 74.55 111.161 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -97.94 -21.9 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 72.33 110.876 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.422 HG13 ' CE1' ' A' ' 84' ' ' PHE . 10.3 mm -107.77 -34.87 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.44 111.129 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.521 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 11.6 ttm180 -48.91 -58.37 8.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 74.34 110.879 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.0 Cg_endo -69.73 5.4 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 72.44 112.38 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.29 -27.85 9.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 72.41 110.853 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.83 -113.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 74.35 110.959 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.52 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.3 tt0 -139.94 142.96 36.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.44 110.909 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -65.8 -40.11 91.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 70.24 110.841 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -89.64 21.93 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 75.11 110.841 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 94' ' ' GLN . 11.0 tp -82.74 -19.7 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.907 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.518 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 2.9 mmt180 64.36 160.48 0.12 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.566 0.698 . . . . 73.05 110.904 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.518 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.6 Cg_endo -69.74 70.86 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.263 . . . . 72.22 112.353 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.6 p -98.13 -20.78 17.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 74.15 110.864 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -49.85 -53.0 28.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 73.21 110.895 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.17 -21.96 15.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.13 111.096 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -96.83 -20.57 18.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.906 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.05 -19.81 29.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 60.55 111.124 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.634 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 12.8 mm -47.8 -51.76 43.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.66 0.743 . . . . 55.45 111.149 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.2 Cg_endo -69.76 -34.6 14.25 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 74.53 112.373 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 6.1 m -75.39 -13.94 60.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.898 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -95.26 -32.18 13.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.905 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.2 ptt85 -87.55 -30.83 20.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 74.14 110.867 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -56.35 -23.95 40.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 71.34 110.846 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -101.36 -5.07 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 74.41 111.127 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 67.05 57.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.842 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.8 tpp85 -116.54 -31.0 5.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.898 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 pp -149.53 -178.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 73.42 111.132 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -144.83 174.76 10.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.897 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.429 ' HB3' ' CD2' ' A' ' 125' ' ' TYR . 0.0 OUTLIER -145.79 125.94 13.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 71.31 110.91 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -113.2 108.99 18.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 73.23 110.913 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.37 102.16 4.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.14 110.878 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 25.7 m -115.42 81.15 1.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 73.3 110.877 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 69.28 -141.43 35.61 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.679 -0.772 . . . . 64.03 112.509 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.87 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 73.05 112.354 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.3 mt -119.63 174.3 6.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.9 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.9 m -155.43 116.57 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 75.13 111.166 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 67.4 m-85 -96.84 169.21 10.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 71.45 110.888 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 0.429 ' CD2' ' HB3' ' A' ' 116' ' ' GLU . 16.2 m-85 -150.75 125.22 9.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.51 110.891 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -125.55 147.98 60.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.731 . . . . 75.31 110.924 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 90.23 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.235 . . . . 74.23 112.372 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 72.22 112.469 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.826 0.346 . . . . 74.34 111.107 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.67 143.98 34.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 71.42 110.904 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mp -90.58 -38.38 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 74.54 111.111 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 m -155.25 98.35 2.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.739 . . . . 75.11 111.176 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 170.54 16.3 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.697 2.265 . . . . 74.52 112.324 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -53.68 174.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 73.33 110.945 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.6 pt -123.1 126.04 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.13 111.123 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.78 175.73 9.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 75.31 111.13 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.429 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -57.05 -32.95 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.22 110.87 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.6 -27.58 64.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.31 110.899 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -91.42 -20.71 21.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 74.34 110.869 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -94.23 -28.25 15.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 74.01 110.904 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -82.06 3.56 26.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 73.33 110.883 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 t -78.91 -17.52 55.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 74.13 111.152 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.01 136.02 20.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.634 0.731 . . . . 73.11 111.127 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 159.31 53.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 64.42 112.372 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -61.2 -21.08 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 75.21 110.919 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -62.87 -16.95 60.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 74.03 110.912 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -109.08 -33.51 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 72.21 110.917 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.3 mt -60.94 -60.58 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 72.22 110.944 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.68 77.83 0.21 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 64.45 112.45 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 65.66 13.9 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 72.5 110.915 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 mt -88.16 152.13 22.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.897 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.3 m -138.35 158.2 44.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.46 . . . . 73.43 111.093 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -49.28 -43.9 43.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 73.04 110.911 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.22 -39.83 80.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 74.45 110.89 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.9 mmt -62.38 -47.57 83.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 64.43 110.897 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.7 mtt -73.81 -32.74 63.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 74.25 110.885 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -58.46 -43.34 88.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.895 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -79.03 -28.82 43.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 74.4 110.888 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.2 mt -71.33 -45.36 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 70.22 111.126 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.3 t -74.03 -28.68 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 74.14 111.092 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -73.71 -44.27 56.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 52.32 110.875 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -68.28 -48.68 64.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 73.13 110.866 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.6 ptp -57.79 -39.42 77.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 71.42 110.883 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -68.77 -30.37 68.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 62.41 110.83 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.52 -56.77 10.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 64.25 110.873 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -59.05 -47.51 84.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.881 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -37.49 87.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 73.03 110.935 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.2 tpt -60.8 -37.24 81.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 73.31 110.82 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.88 -37.81 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 74.24 110.88 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -60.94 -53.72 53.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 75.42 110.885 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.6 p -61.76 -29.13 69.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 74.52 110.88 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -28.76 63.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 74.5 110.881 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.5 mt -79.55 -32.24 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 73.22 111.156 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.9 mt -63.9 -19.61 65.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 74.24 110.921 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -102.28 -34.79 4.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 71.4 112.463 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -53.23 172.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 75.44 110.869 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.1 p -120.91 179.06 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 54.45 111.083 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.44 -20.53 66.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.894 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -70.98 -42.69 69.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 72.11 110.921 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -87.79 -33.45 18.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.04 110.932 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 tt -49.91 125.89 12.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 71.42 110.952 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.31 -173.3 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 72.33 111.194 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.4 tpp85 -50.08 -50.82 46.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 75.44 110.908 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 m -53.6 -33.54 55.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 65.12 110.84 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -75.87 -33.78 59.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 60.33 110.862 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -38.35 59.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.23 110.884 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -69.31 -40.32 77.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 73.14 110.83 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.3 m -69.75 -39.57 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 72.25 111.163 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -43.35 88.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 75.33 110.892 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -36.17 83.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 62.11 110.879 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -74.48 -47.19 34.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 65.21 110.869 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -53.34 -48.37 68.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 73.02 110.891 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -73.39 -22.6 60.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 74.41 110.84 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -73.11 -43.09 62.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 71.3 110.897 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.9 pp -74.73 -31.42 61.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 74.44 110.889 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -72.57 -28.58 62.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 75.42 110.888 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -89.63 -25.86 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.89 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -81.8 -15.75 53.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 73.34 110.915 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.28 -0.15 11.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 71.05 111.137 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 48.54 49.63 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.1 tptp 179.41 122.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 73.02 110.875 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -78.9 90.18 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.873 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.92 153.45 54.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.583 0.706 . . . . 72.54 110.914 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -49.26 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 73.23 112.327 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.07 155.31 30.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 62.02 111.163 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.1 m -121.4 -4.17 9.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 74.21 111.181 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.8 mt -108.15 66.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.958 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.03 -174.28 3.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 74.4 110.863 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.469 ' CE1' HG13 ' A' ' 89' ' ' ILE . 2.3 p90 -152.06 164.01 38.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 75.01 110.873 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.9 pt -100.5 144.35 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 64.31 111.164 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -23.36 46.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.3 110.904 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -9.02 58.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 75.32 111.145 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -105.67 -17.36 14.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.852 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.469 HG13 ' CE1' ' A' ' 84' ' ' PHE . 22.1 mm -106.47 -31.83 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 72.44 111.14 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.487 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 3.9 ttp85 -49.98 -59.47 6.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 70.21 110.851 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.75 5.39 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.707 2.271 . . . . 71.5 112.355 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -104.49 -34.82 8.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.885 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.11 -116.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 71.43 110.902 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.82 140.83 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 61.22 110.907 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -68.39 -24.23 64.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.917 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -101.01 0.17 37.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 72.4 110.863 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.4 tp -63.87 -18.81 64.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 73.44 110.939 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 61.69 163.8 0.11 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 74.34 110.88 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 68.53 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.722 2.281 . . . . 72.13 112.358 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 m -98.23 -25.85 14.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 70.11 110.924 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.56 -50.92 59.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 74.23 110.846 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.27 -22.62 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 74.52 111.079 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -95.15 -22.34 17.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.915 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.96 -18.19 31.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 64.53 111.057 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.634 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 12.6 mm -47.65 -51.49 44.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.636 0.731 . . . . 71.41 111.141 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.76 -32.14 19.16 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 73.43 112.382 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.2 m -74.34 -18.79 60.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 71.12 110.882 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.86 -38.66 12.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.31 110.935 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -80.09 -31.59 39.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.861 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -55.86 -21.82 21.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 75.41 110.849 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 12.3 pt -104.78 -8.73 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 75.13 111.144 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 71.09 54.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -112.87 -29.68 7.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 75.2 110.907 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 pp -150.6 -179.17 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.33 111.137 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -139.11 171.1 14.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 64.52 110.925 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -149.03 128.94 13.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.912 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -116.9 105.34 12.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 73.04 110.879 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.66 104.3 3.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 72.05 110.87 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 10.4 m -120.77 82.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.901 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.37 -140.1 36.72 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.736 . . . . 74.14 112.496 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 1.5 4.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.724 2.283 . . . . 71.44 112.352 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.9 mt -118.12 174.33 6.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.93 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 8.8 m -155.57 123.25 5.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 74.11 111.156 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -94.77 163.11 13.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 72.32 110.881 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -150.59 117.59 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 65.14 110.924 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.81 158.62 61.94 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.684 0.754 . . . . 73.24 110.906 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 98.77 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.687 2.258 . . . . 74.35 112.322 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 60.31 112.509 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.837 0.351 . . . . 73.43 111.114 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.09 145.39 55.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.856 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.2 mp -96.84 -36.31 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 75.43 111.101 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.4 m -155.77 98.9 2.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 73.34 111.139 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 171.15 14.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 73.44 112.386 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -58.54 155.75 11.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 71.23 110.934 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 pt -117.53 114.74 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 72.23 111.154 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.41 -170.51 2.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 62.41 111.159 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -55.39 -23.3 23.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 72.25 110.877 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.64 -30.03 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.884 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -104.67 -43.01 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 74.23 110.852 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -57.85 -24.93 59.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.34 110.892 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -12.72 60.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 65.33 110.893 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.459 ' OG1' HD12 ' A' ' 18' ' ' ILE . 18.7 p -78.03 -15.42 58.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 51.51 111.088 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.459 HD12 ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -122.54 94.58 47.56 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.631 0.729 . . . . 70.44 111.11 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 178.77 4.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.721 2.281 . . . . 75.21 112.387 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -53.14 -25.92 15.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 75.21 110.903 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -62.46 -22.84 66.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 74.13 110.956 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -109.28 -42.98 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 75.01 110.923 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.6 mt -68.54 -54.3 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 72.02 110.927 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.53 -55.35 4.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.789 -0.719 . . . . 74.43 112.461 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -155.06 21.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 75.13 110.852 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.52 165.79 11.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.938 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.82 165.85 26.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 71.02 111.126 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.32 -41.0 65.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.942 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.89 -39.88 90.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 75.41 110.856 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.9 mmt -66.07 -43.89 86.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 74.41 110.881 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 93.0 mtp -75.82 -30.79 59.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.52 110.904 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -64.08 -40.13 95.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 72.14 110.927 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.97 -30.02 35.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 73.23 110.905 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.8 mt -70.29 -48.61 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 74.33 111.147 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.08 -29.44 28.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.54 111.172 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -67.97 -52.04 40.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 75.03 110.901 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -64.29 -49.05 73.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 75.32 110.899 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -43.53 63.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 73.11 110.885 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -67.3 -30.4 70.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 74.13 110.867 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -62.28 -58.58 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 75.54 110.847 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -45.52 92.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 74.4 110.871 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -29.19 70.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 74.52 110.929 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.0 tpt -68.04 -39.89 82.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.894 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -71.45 -35.48 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 75.43 110.914 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -64.22 -53.67 45.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 75.33 110.888 179.862 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -62.63 -25.85 68.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 70.24 110.849 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -27.99 61.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 74.55 110.944 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.9 mt -81.85 -31.95 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.44 111.144 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 6.7 mt -69.67 -11.03 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 70.02 110.92 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.08 33.17 2.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 64.52 112.463 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -119.18 -175.32 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.389 . . . . 72.41 110.846 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -127.18 171.09 11.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 72.12 111.12 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.15 -12.9 58.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 70.04 110.891 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -68.15 -54.12 20.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.881 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -84.34 -30.15 25.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 75.4 110.887 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.0 tt -47.3 119.68 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.93 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.7 p -115.93 -172.93 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 75.31 111.143 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -59.01 -45.3 91.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 73.51 110.899 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.32 -31.48 21.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 71.54 110.868 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -73.75 -34.2 64.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 74.04 110.835 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -36.3 67.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.819 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 63' ' ' VAL . 0.4 OUTLIER -70.7 -37.99 73.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 73.31 110.912 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.455 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 27.9 m -74.57 -39.35 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 74.31 111.09 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -63.42 -42.99 98.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 71.15 110.945 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -36.32 79.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 62.34 110.801 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -73.73 -40.96 63.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.42 110.929 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -44.03 97.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.887 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -73.16 -22.36 60.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 73.04 110.865 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -70.73 -44.41 66.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 74.11 110.891 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.9 pp -76.5 -29.14 56.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 75.43 110.934 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -73.73 -30.66 62.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 75.1 110.892 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.7 ptm -87.73 -19.3 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 74.32 110.904 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -91.52 -13.51 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.897 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.81 -1.24 15.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 72.13 111.073 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 48.15 38.92 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 71.21 110.852 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -177.62 136.7 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 75.42 110.903 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -88.6 91.51 8.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.836 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mp -51.77 158.15 1.72 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.622 0.725 . . . . 73.21 110.878 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.653 2.235 . . . . 71.24 112.347 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.6 t -79.84 164.29 23.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 75.01 111.114 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.8 t -117.81 -18.05 9.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 64.32 111.122 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.4 mt -98.29 67.01 1.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 71.04 110.955 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -132.3 153.95 50.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.885 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.481 ' O ' ' HA ' ' A' ' 124' ' ' PHE . 1.4 p90 -130.33 175.61 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 74.52 110.9 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.6 pt -107.27 146.5 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 74.22 111.128 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -26.85 55.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 64.13 110.86 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -6.81 50.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 73.32 111.171 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.42 -3.13 17.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.834 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.8 mm -123.51 -40.06 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 75.52 111.088 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.589 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.3 OUTLIER -53.76 -54.69 43.63 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.612 0.72 . . . . 75.35 110.887 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.0 Cg_endo -69.78 3.69 2.64 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.687 2.258 . . . . 74.11 112.378 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.71 -30.88 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.919 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.6 mt -64.27 -112.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 74.05 110.886 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.411 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 1.1 mt-30 -133.53 140.53 47.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 73.02 110.891 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.41 -23.99 65.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 71.24 110.816 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -100.83 -2.01 33.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 73.02 110.878 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 94' ' ' GLN . 26.0 tp -65.77 -22.24 66.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 73.24 110.926 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.408 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 24.9 mmt180 61.08 161.39 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 71.5 110.904 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.7 Cg_endo -69.81 70.0 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.665 2.244 . . . . 75.54 112.346 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.5 m -97.21 -17.3 19.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 65.03 110.922 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.88 -50.72 56.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 72.54 110.869 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.03 -24.4 9.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.22 111.114 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -91.98 -24.98 19.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.918 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.88 -15.66 41.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 74.43 111.132 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.638 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 14.1 mm -46.87 -51.42 39.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 75.14 111.116 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.75 -30.29 22.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.237 . . . . 73.12 112.34 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.7 m -77.91 -15.62 58.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.43 110.898 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -94.97 -34.76 12.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.54 110.912 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.7 -29.72 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 75.24 110.858 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -56.18 -21.49 23.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.33 110.882 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 9.4 pt -101.11 -11.38 8.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 63.11 111.095 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 71.59 58.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 75.24 110.864 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -121.64 -32.64 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.3 110.909 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 pp -144.56 179.08 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.11 111.088 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.21 177.34 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.902 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -143.15 138.01 29.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 64.42 110.891 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.61 106.32 15.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.879 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -84.4 101.57 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 73.32 110.866 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.0 m -129.63 87.96 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 63.43 110.87 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.507 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 65.73 -148.04 50.83 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.819 -0.705 . . . . 71.02 112.464 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 33.75 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.716 2.277 . . . . 61.43 112.354 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' A' ' 120' ' ' GLY . 14.9 mt -138.32 162.14 35.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 74.21 110.89 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.89 104.59 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 72.24 111.136 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.481 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 54.0 m-85 -95.48 172.22 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 74.45 110.879 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -151.92 124.44 8.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.949 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 126' ' ' TYR . 1.0 OUTLIER -120.9 147.67 46.77 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.66 0.743 . . . . 71.14 110.916 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 88.46 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 75.54 112.342 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 65.13 112.449 179.928 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.786 0.327 . . . . 65.11 110.887 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -91.35 -50.1 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 54.44 110.881 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.59 92.12 6.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 73.55 110.837 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -118.69 154.35 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 74.42 111.139 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -55.31 160.21 2.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.81 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.89 -25.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 71.53 111.111 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.4 m -152.54 106.98 2.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.571 0.701 . . . . 71.05 111.187 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -175.01 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 2.276 . . . . 74.13 112.323 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -87.25 161.57 17.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 75.42 110.906 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 pt -115.01 138.64 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 72.21 111.07 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.4 -168.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.494 . . . . 74.41 111.101 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -57.43 -21.94 39.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 71.02 110.909 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -71.51 -30.07 65.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 74.45 110.89 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -95.78 -39.04 10.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 75.44 110.882 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -64.19 -40.36 95.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 75.21 110.879 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -58.17 -20.19 38.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 74.2 110.917 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 p -77.41 -11.42 59.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 71.12 111.147 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.6 mt -114.63 109.92 47.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.621 0.724 . . . . 73.01 111.121 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 162.34 42.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.279 . . . . 70.21 112.354 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -58.04 -20.03 35.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 72.42 110.886 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -61.38 -19.45 61.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 72.35 110.903 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -113.05 -34.11 5.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.1 110.926 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.44 -52.0 11.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.911 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.57 -89.27 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 72.32 112.496 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -114.93 22.71 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 75.21 110.866 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.16 176.03 5.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 73.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -158.52 162.23 37.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 74.24 111.143 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.63 -42.77 56.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 75.45 110.919 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.27 -41.71 89.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 72.51 110.891 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.0 mtt -63.21 -42.31 99.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.879 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 mtp -74.51 -37.44 63.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 73.41 110.893 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -57.07 -42.4 80.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.89 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -78.4 -27.19 46.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 64.43 110.927 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.7 mt -72.73 -46.16 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 72.32 111.183 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.8 t -73.9 -27.58 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 71.31 111.088 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -72.53 -52.96 13.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 62.12 110.853 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -43.38 98.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.822 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 78.8 mtp -59.22 -49.66 77.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 73.03 110.865 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.22 -29.9 67.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.43 . . . . 63.25 110.895 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -66.53 -54.95 18.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 53.32 110.864 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -39.44 91.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.865 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.75 -35.02 67.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.915 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 10.6 tpt -65.0 -41.31 95.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.871 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -70.66 -34.02 71.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 75.43 110.914 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -62.55 -53.63 51.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.918 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t -64.7 -24.89 67.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.84 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -29.46 63.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 75.12 110.925 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -81.65 -33.22 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 72.12 111.09 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 6.1 mt -60.86 -18.78 58.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 75.41 110.891 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.06 -31.28 3.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 65.44 112.516 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.05 -174.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 74.24 110.92 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 p -139.96 -172.72 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.15 111.139 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -64.35 -15.55 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.882 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -70.52 -53.41 16.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.896 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.99 -28.59 29.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 74.35 110.936 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -50.77 117.85 2.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.909 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 t -119.36 -174.12 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 71.22 111.11 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -50.76 -50.35 55.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 65.54 110.904 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.1 m -60.5 -25.98 66.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.857 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -74.87 -33.76 62.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 73.44 110.877 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -38.94 57.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 73.41 110.84 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -68.34 -38.14 81.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 61.41 110.887 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.5 m -72.08 -37.98 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 72.14 111.111 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.84 -39.13 90.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.949 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -41.14 82.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 75.2 110.89 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -73.62 -44.7 56.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 63.33 110.824 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 31.0 m0 -59.5 -43.61 93.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 73.33 110.916 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -22.97 60.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 72.04 110.833 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -69.43 -44.51 71.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 74.14 110.846 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 pp -76.0 -32.64 59.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 72.23 110.876 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -68.44 -33.08 73.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.859 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.6 ptm -87.65 -18.44 29.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 73.41 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.47 -18.92 36.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 72.43 110.894 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.21 2.76 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 72.44 111.057 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? 69.8 57.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 72.14 110.887 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt 40.23 40.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.87 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -102.49 -174.16 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 74.41 110.885 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.7 mp 63.93 114.77 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.709 . . . . 70.51 110.901 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -19.24 36.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.732 2.288 . . . . 72.14 112.356 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.44 172.08 8.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 74.32 111.103 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.6 m -138.61 9.61 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.22 111.153 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.6 mt -117.93 65.46 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 72.34 110.919 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -137.21 172.73 12.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.907 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -143.97 171.86 13.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 71.52 110.894 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.1 pt -98.98 143.75 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 71.42 111.112 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.71 -25.29 53.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 72.2 110.886 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -9.82 59.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 74.31 111.195 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.69 -26.19 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 71.42 110.88 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.1 mm -96.11 -36.18 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 73.33 111.15 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.522 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 10.3 tpp85 -50.68 -57.98 11.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 74.45 110.906 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.9 Cg_endo -69.73 5.01 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 72.23 112.331 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.15 -22.48 12.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 75.42 110.895 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.51 -113.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 74.14 110.872 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -136.83 141.46 42.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 75.11 110.88 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -68.29 -22.94 64.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 64.12 110.857 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -101.12 -2.58 31.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.868 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.1 tp -64.69 -21.84 66.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 74.3 110.93 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 62.21 163.39 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.702 . . . . 75.33 110.873 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 68.26 1.7 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.731 2.287 . . . . 74.34 112.361 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.18 -15.66 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 72.02 110.825 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -50.95 -52.44 42.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.894 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.8 -22.32 13.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 65.42 111.102 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -97.55 -21.81 16.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 71.3 110.907 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.66 -17.43 38.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 63.53 111.112 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.626 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 14.6 mm -46.63 -52.16 32.64 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.605 0.717 . . . . 72.53 111.083 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.8 Cg_endo -69.75 -22.0 32.76 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.678 2.252 . . . . 71.02 112.333 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.0 t -83.51 -27.4 29.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 75.42 110.879 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -84.29 -34.08 23.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.893 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -79.71 -32.73 41.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 73.35 110.897 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -55.41 -21.19 14.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 73.12 110.862 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 14.5 pt -106.49 -10.84 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 53.3 111.134 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 70.38 45.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.869 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -100.09 -29.37 12.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 75.44 110.894 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.9 pp -149.85 -179.65 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.136 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -140.48 169.77 17.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 74.32 110.852 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.04 126.92 17.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 73.43 110.92 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.15 111.58 21.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.927 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.14 100.58 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 73.34 110.868 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 28.4 m -121.71 89.4 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.837 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.499 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 62.93 -148.76 49.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 75.33 112.501 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 35.57 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 75.32 112.344 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.499 ' H ' ' C ' ' A' ' 120' ' ' GLY . 32.9 mt -143.95 166.64 24.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 73.12 110.886 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.51 108.73 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 62.42 111.107 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -96.94 163.15 13.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 75.41 110.879 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -148.88 123.55 9.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.133 -0.485 . . . . 74.33 110.955 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -122.47 160.54 47.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.681 0.753 . . . . 72.12 110.918 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 96.69 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 73.23 112.362 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 50.25 -149.4 6.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.692 -0.766 . . . . 70.41 112.51 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.3 t -133.17 141.02 47.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.397 . . . . 73.13 110.813 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 74.33 110.846 -179.837 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 ptp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.753 0.311 . . . . 75.55 110.929 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -103.57 -177.93 3.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 70.32 110.911 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -100.46 20.24 15.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.902 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.77 163.1 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 74.32 111.152 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.5 147.17 42.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.04 110.839 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.62 -33.38 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 74.23 111.145 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.6 m -154.2 100.06 2.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 74.45 111.164 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 164.26 35.22 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.642 2.228 . . . . 74.1 112.346 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -61.96 169.21 2.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 72.32 110.89 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.3 pt -120.6 120.44 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.32 111.156 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.16 -169.25 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 74.53 111.19 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.52 -19.54 64.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 71.11 110.864 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -80.68 -29.33 36.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 74.1 110.856 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -95.18 -34.4 12.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 71.33 110.879 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -71.57 -33.56 69.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 71.24 110.876 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -66.42 -11.63 52.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.497 . . . . 72.21 110.913 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 p -76.66 -7.68 55.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 61.44 111.129 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.7 mp -110.96 120.46 43.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.689 0.756 . . . . 72.15 111.129 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 154.74 67.49 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.673 2.248 . . . . 70.44 112.345 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -57.03 -28.03 62.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 74.25 110.887 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -62.75 -17.85 61.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 70.42 110.91 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -108.31 -33.48 7.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 73.13 110.91 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.2 mt -60.95 -60.31 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 74.45 110.924 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.03 74.16 0.51 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.766 -0.731 . . . . 72.15 112.474 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 66.04 13.24 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 75.12 110.888 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 mt -84.25 160.95 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 74.3 110.872 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 m -144.01 158.85 43.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 75.21 111.123 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.71 -42.66 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 72.42 110.938 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.25 -38.18 79.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 74.35 110.918 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.0 mmt -62.81 -48.05 80.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 72.5 110.923 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.6 mtt -75.09 -31.83 61.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 72.35 110.866 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -58.84 -42.94 90.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.864 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -80.07 -31.45 39.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 64.33 110.85 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.3 mt -68.06 -46.74 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 75.24 111.133 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.0 t -75.33 -26.94 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 74.24 111.162 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -73.11 -52.17 15.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.843 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -42.11 88.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.902 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.9 mtm -58.96 -53.47 58.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.1 110.881 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -32.01 72.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 74.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -59.94 -55.18 37.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 64.3 110.848 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.06 -49.65 76.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 74.51 110.858 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -33.08 74.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.901 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 54.6 ttp -64.36 -38.48 91.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 74.34 110.89 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -72.0 -36.87 69.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.908 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.438 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 31.5 mmtp -61.42 -53.07 61.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.912 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -64.99 -25.51 67.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.23 110.855 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -29.03 64.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 73.22 110.862 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -84.66 -31.88 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 75.3 111.173 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 5.0 mt -61.43 -17.95 56.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 75.45 110.911 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -106.13 -36.75 2.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.695 -0.764 . . . . 71.11 112.498 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.85 171.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 75.25 110.856 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.2 t -117.17 173.18 6.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 75.23 111.145 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -58.14 -22.36 50.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 71.01 110.933 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -69.85 -45.99 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 71.01 110.856 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -84.28 -26.57 28.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 75.41 110.933 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tt -49.05 123.79 7.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.888 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.7 p -127.06 -172.44 2.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 75.33 111.19 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.8 tpp85 -50.13 -46.44 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 65.31 110.861 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.84 -29.23 70.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 55.24 110.897 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -75.9 -32.93 59.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 53.4 110.919 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.1 -38.86 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 75.05 110.853 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.4 -42.51 75.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 71.13 110.875 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.1 m -66.57 -40.33 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 74.53 111.144 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.75 -44.79 92.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.916 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -42.17 97.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 73.35 110.836 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -70.23 -46.28 64.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 74.43 110.898 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -49.84 -48.7 50.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 73.41 110.963 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -22.42 61.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 75.41 110.914 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -38.53 63.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.884 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -42.69 51.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 75.43 110.93 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.08 -29.01 68.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 75.23 110.928 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.0 ptm -87.98 -17.33 31.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 72.42 110.897 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -91.23 -12.34 35.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 75.33 110.915 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.58 0.03 18.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 54.4 111.134 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 48.23 36.69 7.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.901 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -178.4 165.65 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.52 110.914 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -104.98 91.11 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 72.41 110.885 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.4 mp -63.31 160.59 39.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 70.5 110.954 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -36.64 10.38 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.711 2.274 . . . . 74.2 112.301 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.6 m -122.99 99.53 6.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 74.43 111.15 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 m -65.27 -12.57 53.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 71.31 111.186 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 mt -75.38 71.84 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.901 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.01 -177.73 5.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.892 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -151.32 168.47 24.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.904 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.8 pt -99.16 153.12 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 71.42 111.15 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -56.19 -30.3 62.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.03 110.851 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -8.94 58.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 71.2 111.139 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -98.93 -6.93 27.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.871 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.4 mm -122.59 -37.36 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.23 111.165 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.514 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 13.0 ttt180 -49.38 -58.62 8.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 74.32 110.876 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.75 9.32 0.61 Allowed 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.689 2.259 . . . . 75.33 112.353 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.418 ' H ' ' C ' ' A' ' 90' ' ' ARG . 0.6 OUTLIER -112.89 -23.26 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 70.43 110.902 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.0 mt -73.8 -118.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 72.54 110.903 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.471 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.7 tt0 -134.81 143.42 47.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 71.53 110.952 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.09 -39.32 93.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.872 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -90.42 21.27 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 74.21 110.909 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 94' ' ' GLN . 9.6 tp -80.67 -22.31 40.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.935 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 64.35 164.11 0.12 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 73.24 110.854 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 69.4 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.649 2.233 . . . . 72.51 112.338 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.72 -23.97 15.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.9 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -51.63 -50.48 60.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 74.11 110.878 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.0 -19.94 21.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 71.1 111.073 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.38 -20.13 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.901 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.92 -19.98 33.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 74.51 111.11 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.628 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 15.5 mm -46.32 -52.26 29.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.668 0.747 . . . . 71.25 111.147 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.628 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.4 Cg_endo -69.78 -30.75 21.67 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.664 2.243 . . . . 70.33 112.387 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 4.7 m -77.7 -13.9 59.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 74.54 110.867 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -95.15 -34.68 12.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 75.32 110.91 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -84.14 -30.63 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 73.23 110.852 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -56.57 -20.8 22.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 62.14 110.843 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 13.1 pt -101.16 -11.39 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 74.42 111.09 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.51 57.59 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 74.1 110.882 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.0 mtp85 -121.29 -31.57 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 72.34 110.851 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 pp -144.57 -179.27 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 75.44 111.117 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -146.18 175.35 10.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 73.14 110.863 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.48 130.38 18.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.54 110.856 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.48 106.74 14.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.895 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -81.95 102.19 10.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 75.44 110.864 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 6.5 m -125.74 93.86 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.892 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.468 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 60.52 -149.27 43.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 64.33 112.475 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 39.34 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 74.3 112.35 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 120' ' ' GLY . 77.7 mt -147.71 166.89 26.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.876 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m -153.25 111.4 3.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 72.14 111.107 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -97.92 168.13 10.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 73.51 110.908 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -151.37 118.8 6.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.96 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -123.95 160.27 52.6 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.653 0.739 . . . . 71.34 110.939 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 93.64 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 2.262 . . . . 74.25 112.348 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 51.76 -170.8 0.37 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 63.13 112.462 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.7 t -113.66 -27.25 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 62.23 110.878 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 74.03 110.857 -179.817 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mmt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.744 0.307 . . . . 75.34 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 59.79 45.92 12.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 70.01 110.867 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -56.36 113.77 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.884 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -119.74 157.04 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 73.21 111.152 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.08 162.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 73.43 110.895 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.85 -21.19 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 62.23 111.113 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 m -153.48 98.52 2.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 71.11 111.146 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 172.34 12.82 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.636 2.224 . . . . 72.14 112.381 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -74.2 164.8 26.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.889 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.8 pt -116.87 119.46 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 71.23 111.11 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.04 -166.58 1.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 73.05 111.144 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.33 -20.26 65.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 73.53 110.849 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -79.88 -29.93 40.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.844 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -95.78 -32.63 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.903 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -72.14 -37.19 69.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.22 110.858 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -10.63 53.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 75.5 110.929 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 p -76.99 -9.62 58.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 74.5 111.13 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.67 129.62 24.15 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 64.42 111.148 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.58 63.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 74.22 112.314 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -56.03 -24.1 37.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 75.03 110.864 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -63.05 -20.75 65.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 75.23 110.896 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -101.92 -38.49 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 71.41 110.906 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.1 mt -72.15 -53.52 12.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 64.22 110.935 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.27 -91.84 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 24.42 112.473 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -110.8 25.48 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 75.15 110.89 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.65 166.85 11.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.928 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.0 m -147.15 160.32 42.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 62.24 111.167 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.92 -42.32 62.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 72.24 110.925 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.05 -38.04 84.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.861 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.409 ' HA ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -62.43 -47.56 83.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 71.43 110.898 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 43.3 mtp -75.95 -32.29 59.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 74.3 110.854 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -58.51 -42.12 86.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.859 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -81.07 -35.0 32.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 71.12 110.937 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.8 mt -64.56 -46.11 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 71.05 111.165 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.9 t -75.45 -31.53 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.15 111.107 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 t -70.03 -48.61 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 62.13 110.838 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.57 -54.59 25.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 71.15 110.884 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.9 ptm -51.39 -39.11 56.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.904 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -68.62 -30.78 69.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 73.52 110.839 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -63.62 -49.51 73.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 64.3 110.845 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.91 -49.62 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 74.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -33.83 76.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 75.11 110.906 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 50.8 ttp -64.6 -40.23 95.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.889 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -33.39 73.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 75.12 110.908 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.5 tptt -65.04 -53.67 42.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 72.4 110.889 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.7 p -62.45 -25.97 68.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 74.15 110.847 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -29.77 62.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.34 110.909 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.3 mt -79.49 -32.06 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 74.3 111.103 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.8 mt -62.77 -19.92 64.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 65.34 110.943 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -109.36 -28.32 4.39 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 72.11 112.508 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -63.48 -175.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.367 . . . . 74.2 110.916 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.1 t -132.51 171.81 13.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 74.42 111.141 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -53.95 -30.33 46.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.904 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -62.39 -41.73 98.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 75.25 110.904 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -84.02 -35.52 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 65.34 110.964 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tt -49.28 129.33 18.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.937 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 30.4 p -127.28 -173.4 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 73.21 111.148 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -52.13 -49.96 62.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 72.13 110.877 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 m -58.31 -30.23 66.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 72.12 110.886 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -74.43 -33.4 62.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 75.51 110.895 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -38.19 58.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.852 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.92 -36.87 78.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 75.13 110.854 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.2 m -73.96 -39.85 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 74.51 111.119 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.48 -45.23 93.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 73.25 110.912 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.2 -43.71 85.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.909 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -64.05 -46.78 82.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 75.33 110.888 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 18.4 m0 -55.19 -51.31 66.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.893 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -22.94 65.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 74.5 110.884 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.32 -34.01 63.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.895 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.39 -43.9 47.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 63.44 110.885 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -67.17 -28.65 68.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 74.24 110.865 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -88.35 -16.24 33.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.906 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm -90.63 -14.38 32.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.913 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.28 1.02 12.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 64.34 111.082 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 49.1 35.5 7.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.862 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -174.06 161.27 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 73.44 110.9 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -102.99 90.85 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.897 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 mp -54.08 162.48 1.48 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.625 0.726 . . . . 72.1 110.862 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -47.55 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.718 2.279 . . . . 73.25 112.353 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.2 t -91.21 159.05 16.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 73.55 111.11 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.5 m -117.72 11.92 13.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 65.13 111.178 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 79.6 mt -123.22 67.59 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.953 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -131.73 169.0 16.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.05 110.916 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 5.5 p90 -144.04 175.07 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.872 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.0 pt -106.05 148.84 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 74.41 111.113 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.92 -29.22 59.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 72.31 110.894 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.71 -6.13 49.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 70.14 111.12 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.2 -10.47 28.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 63.15 110.851 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.445 HG13 ' CE1' ' A' ' 84' ' ' PHE . 8.8 mm -123.79 -35.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 75.32 111.116 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.524 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 2.1 ttp180 -49.02 -58.16 9.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 74.31 110.886 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.3 Cg_endo -69.81 4.47 2.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.647 2.231 . . . . 73.14 112.345 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.26 -32.84 7.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 74.14 110.843 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.414 ' HB3' HD21 ' A' ' 97' ' ' LEU . 78.5 mt -63.56 -108.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.274 -0.421 . . . . 72.35 110.911 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.502 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.2 tt0 -140.72 143.43 35.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 65.03 110.898 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -67.32 -39.61 85.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.91 18.35 4.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 75.23 110.867 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.502 ' HB2' ' HB3' ' A' ' 94' ' ' GLN . 13.0 tp -80.29 -23.67 40.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 73.51 110.935 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.4 mtp85 65.24 164.54 0.12 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 74.5 110.87 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 73.14 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 75.31 112.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.4 p -98.67 -30.39 12.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.881 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.97 -51.4 52.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.857 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.16 -22.51 11.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 74.12 111.12 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -98.64 -19.35 17.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.876 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.4 -15.68 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 75.34 111.11 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.62 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 15.9 mm -46.08 -52.33 27.66 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 74.24 111.154 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.81 -31.86 19.5 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.667 2.245 . . . . 71.52 112.314 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.1 m -74.94 -16.99 60.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 65.32 110.924 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -92.74 -37.78 12.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 75.51 110.923 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -80.87 -30.47 35.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 72.42 110.869 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -56.28 -22.15 28.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.873 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 15.3 pt -103.17 -7.77 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 74.42 111.16 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 71.12 56.66 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 74.14 110.88 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -117.59 -31.35 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 73.51 110.896 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 pp -146.94 -179.47 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.23 111.118 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -143.86 173.56 11.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 71.53 110.879 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.43 126.37 10.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.87 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -113.49 105.94 13.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 73.25 110.87 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.83 101.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 75.2 110.896 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 13.7 m -112.9 81.59 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 75.53 110.909 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 68.59 -141.24 36.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.784 -0.722 . . . . 55.13 112.456 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 5.27 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.69 2.26 . . . . 72.42 112.38 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.1 mt -120.88 176.37 5.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.912 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 5.4 m -158.7 120.8 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 72.02 111.143 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 49.6 m-85 -99.26 172.62 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 65.14 110.888 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -152.41 124.62 8.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.923 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -126.58 156.26 73.47 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.658 0.742 . . . . 75.15 110.898 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 93.48 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.716 2.278 . . . . 73.21 112.344 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 50.67 -152.15 4.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.728 . . . . 63.51 112.448 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.9 t -108.88 123.79 49.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 64.13 110.892 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 70.33 110.824 -179.774 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.1 mtm . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.783 0.325 . . . . 71.25 110.868 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -119.45 157.49 28.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 73.11 110.862 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -113.27 107.17 15.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.42 110.839 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -119.57 154.81 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 73.31 111.092 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.24 146.63 27.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 74.33 110.887 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.7 mp -96.93 -34.28 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 72.44 111.119 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.401 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 3.9 m -154.75 100.03 2.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.631 0.729 . . . . 73.03 111.091 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.3 Cg_endo -69.82 166.17 28.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.656 2.237 . . . . 71.35 112.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -59.38 162.8 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 75.35 110.922 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.2 pt -117.6 135.78 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.32 111.075 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.27 -174.54 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 74.44 111.198 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -58.11 -21.88 48.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 71.13 110.887 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.33 -28.86 67.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.856 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -105.04 -43.58 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.15 110.891 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -56.65 -33.98 66.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.908 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -8.87 57.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 75.42 110.877 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.22 -7.18 55.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 73.23 111.159 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.3 mp -108.05 133.41 20.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.645 0.736 . . . . 75.44 111.15 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 145.54 57.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 71.25 112.359 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.6 -24.03 30.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 75.13 110.901 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -62.52 -20.76 64.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.902 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -102.0 -37.12 8.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 75.41 110.894 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.0 mt -71.87 -53.82 12.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 74.14 110.947 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.38 -91.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 75.24 112.474 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.59 25.74 11.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.375 . . . . 72.11 110.891 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.4 164.76 11.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 73.24 110.926 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -148.14 161.95 40.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 72.41 111.149 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.79 -42.55 58.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 63.25 110.928 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -40.02 83.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.922 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.4 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -62.39 -46.11 90.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 73.44 110.934 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.4 mtt -74.47 -33.3 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 73.41 110.928 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -58.3 -42.59 86.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 71.22 110.902 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -81.27 -33.49 32.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.912 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.6 mt -66.13 -45.83 89.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 75.35 111.185 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.0 t -75.27 -33.6 28.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 64.3 111.119 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -69.69 -45.86 67.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 74.15 110.854 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -66.52 -55.24 16.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 72.34 110.935 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.401 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 24.6 ptm -52.09 -39.91 60.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 75.35 110.852 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -70.02 -29.13 66.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 73.41 110.865 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -64.96 -55.3 19.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 72.12 110.923 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -47.53 84.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.832 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.65 -30.02 71.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.907 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.8 tpt -67.64 -38.92 84.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.861 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.18 -37.18 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 62.01 110.896 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 4.2 tttt -63.24 -53.09 58.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 73.01 110.878 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 t -62.38 -26.57 68.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.854 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -28.79 61.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 74.14 110.914 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 7.3 mt -81.27 -31.16 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 74.42 111.139 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 5.9 mt -63.14 -21.5 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 74.01 110.929 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -105.47 -35.14 3.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 72.12 112.504 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 tptt -55.82 176.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.885 0.374 . . . . 64.15 110.873 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 p -115.61 170.37 8.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 75.24 111.184 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -62.25 -22.4 65.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 74.12 110.862 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -72.11 -37.2 69.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 72.32 110.845 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -90.48 -31.42 16.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.913 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.79 130.84 29.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 75.05 110.937 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.6 p -115.53 -174.09 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 73.34 111.146 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.2 ttm-85 -60.44 -44.12 96.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 75.44 110.914 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 m -55.45 -35.88 65.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.839 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -73.9 -32.07 63.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 73.41 110.899 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.99 -44.81 46.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.43 110.848 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.43 -44.04 95.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.902 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.6 m -65.42 -42.62 93.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 63.31 111.123 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.19 -45.07 84.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 63.22 110.921 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.98 -31.23 72.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 70.52 110.836 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -74.43 -41.46 60.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.52 110.878 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -62.48 -40.18 95.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 75.3 110.923 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -24.32 56.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 75.03 110.891 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -72.04 -43.28 65.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.866 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.8 pp -75.27 -36.47 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 75.33 110.923 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -66.86 -33.98 76.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 71.23 110.88 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.3 ptm -88.63 -14.48 37.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 73.33 110.882 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -84.34 -21.54 30.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 71.14 110.883 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.77 1.02 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 72.12 111.09 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 43.91 34.86 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 73.02 110.89 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -152.29 128.59 10.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.884 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.77 90.89 5.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 74.32 110.883 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.66 159.82 31.14 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 65.04 110.938 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -49.03 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.684 2.256 . . . . 72.51 112.331 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.0 t -98.4 167.81 10.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 71.35 111.185 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.9 m -122.23 -21.58 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 71.12 111.134 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.1 mt -80.68 71.79 7.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 74.02 110.904 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.42 -174.81 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 75.41 110.864 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 2.4 p90 -152.11 174.36 13.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 73.34 110.87 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.8 pt -114.26 142.16 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 72.4 111.17 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -22.75 33.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 75.33 110.899 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.98 -10.14 57.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.31 111.192 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -118.52 5.28 11.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 71.4 110.815 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.407 HG13 ' CE1' ' A' ' 84' ' ' PHE . 18.1 mm -124.18 -34.3 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 75.13 111.125 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.546 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 4.7 ttp180 -59.93 -56.84 31.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 75.14 110.879 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.3 Cg_endo -69.75 4.19 2.33 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 73.12 112.379 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.21 -35.35 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 64.12 110.87 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 78.3 mt -63.69 -106.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.964 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.93 134.44 28.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 71.15 110.916 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -64.9 -20.92 66.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 72.35 110.83 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -101.12 -3.47 29.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 75.3 110.869 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.4 HD11 ' HA ' ' A' ' 30' ' ' MET . 16.7 tp -65.52 -23.89 66.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 72.43 110.905 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.507 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 9.9 mtp180 68.61 159.41 0.15 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.631 0.729 . . . . 75.34 110.829 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 54.1 Cg_endo -69.74 70.15 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.255 . . . . 61.51 112.352 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 m -98.41 -17.55 18.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.854 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.98 -49.25 60.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.854 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.83 -22.13 13.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 72.24 111.074 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -94.53 -19.57 20.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.3 110.878 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.62 -17.37 24.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 74.21 111.103 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.626 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.5 mm -46.61 -52.36 31.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 65.41 111.116 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.2 Cg_endo -69.7 -30.78 22.03 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.669 2.246 . . . . 75.55 112.384 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.4 m -76.9 -15.16 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.93 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -95.41 -33.63 12.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 70.14 110.938 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.57 -30.2 23.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.879 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -56.44 -21.68 27.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 61.24 110.843 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 19.1 pt -98.22 -10.57 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 73.32 111.107 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.7 58.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.851 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.4 mtp85 -124.51 -35.28 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 75.1 110.861 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 pp -142.05 171.0 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 75.55 111.087 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.1 174.6 10.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 73.1 110.846 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.08 129.22 15.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.865 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -113.31 106.4 14.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 74.3 110.891 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -80.48 102.6 9.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 73.44 110.84 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 6.7 m -126.5 95.13 4.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 64.44 110.864 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.448 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 58.78 -149.29 37.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 72.35 112.478 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 40.95 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.637 2.224 . . . . 75.44 112.351 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.448 ' H ' ' C ' ' A' ' 120' ' ' GLY . 60.8 mt -150.4 167.76 26.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 75.44 110.927 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.1 113.69 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 74.41 111.151 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 22.3 m-85 -96.17 163.79 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.4 110.886 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -150.9 118.55 6.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 65.44 110.945 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.26 157.02 56.92 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.659 0.743 . . . . 75.04 110.951 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 80.75 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 70.03 112.306 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 47.85 86.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 74.14 112.496 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 t -52.3 -38.04 57.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 75.15 110.853 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 63.25 110.872 -179.794 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 mmt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.751 0.31 . . . . 73.43 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -61.87 -37.07 83.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 72.33 110.909 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -83.4 98.41 9.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 70.52 110.884 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -119.82 154.05 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.43 111.099 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.06 158.44 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 72.2 110.898 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.58 -25.76 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 74.12 111.142 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 m -154.69 99.52 2.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 71.53 111.125 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 174.21 9.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 74.04 112.329 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.79 159.9 33.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.878 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.9 pt -115.56 116.76 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 63.21 111.159 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.21 -169.43 2.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 62.55 111.136 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -60.35 -20.72 60.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 73.11 110.89 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.47 -29.36 59.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 74.35 110.883 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -99.34 -34.24 10.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 74.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -68.6 -38.62 80.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.41 110.865 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -13.64 60.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.893 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 p -77.97 -9.7 59.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 74.21 111.094 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mt -102.7 127.55 29.94 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.628 0.728 . . . . 74.22 111.151 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 148.67 65.94 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.7 2.267 . . . . 73.32 112.395 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -56.36 -24.15 42.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.921 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -63.1 -20.41 65.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 74.03 110.886 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -102.24 -36.82 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 72.34 110.92 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.25 -53.01 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 71.3 110.936 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.94 -89.38 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 73.4 112.46 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -118.08 23.86 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 71.22 110.886 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.07 176.2 6.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.912 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -155.19 165.01 38.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 73.05 111.153 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.65 -40.99 61.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 75.32 110.913 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.01 -41.74 97.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.9 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.6 mtt -62.68 -43.0 99.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 73.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.3 mtp -75.69 -35.28 60.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 72.22 110.893 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -57.88 -43.16 85.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 73.13 110.826 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -78.07 -34.67 50.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.901 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.8 mt -65.57 -47.03 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 73.21 111.15 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.6 t -73.24 -27.27 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 72.32 111.152 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -74.88 -53.76 8.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 74.14 110.847 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -59.82 -49.66 76.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 72.23 110.931 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 13.1 ttt -57.91 -45.26 86.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.88 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -62.76 -29.31 70.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.853 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.6 -52.24 40.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 75.41 110.804 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.497 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -66.14 -36.02 82.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 75.42 110.889 -179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.37 -28.66 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 71.21 110.894 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 5.1 tpt -71.67 -42.82 67.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 73.23 110.842 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -70.5 -36.99 74.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 75.11 110.892 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -63.9 -53.26 53.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.5 110.908 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 t -61.32 -26.75 68.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 73.45 110.864 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -28.55 62.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.15 110.863 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.4 mt -79.48 -32.66 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 72.42 111.188 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.55 -19.53 65.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 75.0 110.889 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.88 36.71 2.07 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.805 -0.712 . . . . 75.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.11 145.24 30.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 75.22 110.888 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.71 148.91 37.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 73.01 111.17 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -61.75 -20.19 63.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 64.33 110.902 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -64.33 -37.53 87.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 70.11 110.867 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -94.93 -31.67 13.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 63.52 110.914 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.21 128.68 37.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 75.22 110.851 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 27.3 p -131.01 -173.6 3.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 75.24 111.095 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -51.89 -38.85 57.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.888 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.52 -33.3 31.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 63.41 110.827 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -34.79 64.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 70.34 110.881 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.26 -30.99 48.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 73.12 110.848 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.96 -34.61 64.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 71.12 110.887 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -79.87 -42.63 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.03 111.14 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.2 mp -63.0 -48.05 80.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.896 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.22 -44.39 79.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 64.23 110.859 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -64.75 -43.89 91.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 72.14 110.913 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 27.4 m0 -68.2 -35.56 78.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 75.14 110.896 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -24.28 44.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 74.02 110.851 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -74.28 -42.77 59.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 75.3 110.866 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.1 -38.86 56.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.921 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -67.07 -31.24 71.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.885 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.4 ptm -85.55 -19.69 30.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 65.15 110.89 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.35 0.15 42.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 75.54 110.887 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.68 0.42 12.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 63.14 111.114 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 55.05 57.89 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.857 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -160.1 156.42 26.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.928 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.95 97.95 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 71.41 110.883 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.4 mp -99.38 111.2 60.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.639 0.733 . . . . 72.32 110.955 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -26.6 27.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.647 2.231 . . . . 73.11 112.346 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.6 t -83.21 157.42 22.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 73.35 111.161 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 58.0 m -115.84 -28.21 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 53.24 111.179 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.8 mt -96.09 73.33 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.12 110.876 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -129.12 160.4 32.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 70.3 110.915 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -133.32 174.71 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 72.14 110.861 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.9 pt -111.95 159.49 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 71.43 111.134 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.0 -25.69 59.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.845 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.73 -8.08 49.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 73.3 111.189 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.71 0.57 16.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 73.22 110.849 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.4 mm -123.36 -41.31 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 74.33 111.136 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.508 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 12.4 ttt-85 -56.25 -58.38 16.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.665 0.745 . . . . 74.44 110.842 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.4 Cg_endo -69.73 12.2 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.69 2.26 . . . . 74.41 112.323 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.451 ' H ' ' C ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -114.53 -23.62 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.884 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 25.5 mt -71.14 -113.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 72.02 110.919 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.55 136.39 50.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 64.43 110.896 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.19 -22.28 66.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 75.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -101.02 -3.47 29.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.51 110.868 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.3 tp -65.95 -18.82 65.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.44 110.931 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.469 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 13.0 mmt180 64.43 157.55 0.12 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.645 0.736 . . . . 73.52 110.863 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.469 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.4 Cg_endo -69.8 71.64 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.65 2.233 . . . . 74.15 112.393 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.0 m -97.71 -16.14 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 71.44 110.883 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -50.81 -49.86 57.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 74.41 110.889 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.04 -23.12 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 63.44 111.102 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.59 -23.0 17.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 73.33 110.894 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.29 -14.54 40.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.53 111.091 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.62 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.9 mm -45.82 -52.24 26.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.661 0.743 . . . . 73.03 111.129 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.75 -28.98 24.65 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 73.11 112.317 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 8.1 m -75.89 -16.93 59.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 75.52 110.871 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -90.92 -37.56 13.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.884 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.2 ptt85 -83.29 -28.83 28.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 75.12 110.874 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -56.51 -22.65 34.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.897 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 12.1 pt -99.26 -8.25 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 74.3 111.139 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 72.92 58.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 73.34 110.838 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -123.17 -40.15 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 75.15 110.887 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 pp -149.13 161.9 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 65.41 111.088 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -127.01 178.28 6.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.847 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.43 127.72 32.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 64.21 110.896 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.07 105.11 13.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.886 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.0 tpp85 -73.74 102.97 4.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 73.4 110.865 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 8.5 m -115.85 82.03 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 74.23 110.883 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.54 -139.02 34.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 71.21 112.487 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 1.78 4.16 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.724 2.283 . . . . 72.51 112.29 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.3 mp -119.75 177.89 4.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 75.12 110.918 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.4 m -157.61 125.77 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 64.35 111.136 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 68.2 m-85 -106.71 173.41 6.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 73.34 110.887 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -150.11 129.04 12.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 73.03 110.932 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -121.01 147.11 45.63 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.664 0.745 . . . . 74.2 110.944 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 80.68 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 71.44 112.384 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 47.55 88.56 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 73.15 112.482 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.07 114.87 11.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.817 0.342 . . . . 72.43 110.847 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.827 -179.804 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 ptm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.784 0.326 . . . . 72.14 110.865 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -103.84 171.65 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 62.52 110.882 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.72 103.26 15.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 73.5 110.87 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -117.59 155.81 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 75.14 111.124 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -60.66 146.5 45.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.854 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.0 mp -93.89 -35.7 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 74.01 111.119 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.7 m -151.81 120.67 3.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.642 0.734 . . . . 73.53 111.107 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -168.97 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.695 2.263 . . . . 71.55 112.335 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -95.88 170.44 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 73.54 110.973 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.9 pt -115.99 121.29 67.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 75.52 111.123 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.32 -167.44 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 64.31 111.17 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.19 -20.12 51.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 64.12 110.896 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -82.77 -29.18 29.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 74.14 110.885 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -92.6 -37.92 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.24 110.872 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -68.65 -36.1 78.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 75.15 110.915 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -12.27 59.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 70.12 110.875 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 p -77.5 -10.03 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 73.3 111.124 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.53 128.0 26.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.636 0.731 . . . . 74.14 111.14 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 152.67 69.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 73.34 112.376 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -20.84 57.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 73.43 110.941 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -63.74 -24.88 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 64.43 110.874 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -99.99 -39.54 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 73.31 110.912 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.17 -54.22 16.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 75.41 110.939 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.31 -87.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 61.14 112.487 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -117.98 19.95 13.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 74.41 110.892 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.08 158.87 17.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 70.54 110.959 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.1 m -136.63 154.41 50.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.106 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.09 -41.53 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 75.23 110.905 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -38.32 87.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 70.21 110.839 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.1 mtt -64.43 -46.39 83.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 63.43 110.845 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 58.8 mtp -75.2 -32.22 61.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 75.2 110.915 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.53 -40.95 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 73.21 110.888 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -81.65 -27.7 33.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 72.4 110.893 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.2 mt -72.06 -47.67 53.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 74.33 111.103 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.1 t -73.52 -36.11 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 73.34 111.122 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -64.02 -51.89 62.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 63.33 110.876 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -39.27 94.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.23 110.893 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -46.22 83.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 71.31 110.848 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -66.96 -30.8 71.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.847 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.51 -57.81 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 65.43 110.854 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -60.29 -47.78 84.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 71.14 110.892 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.9 -31.05 72.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 75.22 110.91 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 64.9 ttp -66.18 -39.06 89.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 74.51 110.879 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -71.32 -36.52 71.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.931 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -63.05 -52.78 61.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 74.04 110.871 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 t -64.03 -25.24 68.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 73.32 110.852 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -28.86 62.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.02 110.891 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 mt -83.32 -31.96 8.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 75.22 111.136 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mt -61.04 -19.51 61.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.872 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.73 -27.58 4.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 74.21 112.469 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -63.24 -173.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 74.04 110.874 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.7 p -135.55 -175.61 4.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 72.41 111.157 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -64.35 -17.97 64.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 74.51 110.849 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.4 -44.55 71.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.879 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -87.87 -32.55 18.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 75.23 110.975 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tt -50.82 124.29 10.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.878 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.84 -173.18 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 72.24 111.118 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.3 mtm-85 -54.65 -50.11 68.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 71.43 110.835 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 m -60.58 -26.06 66.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 73.55 110.864 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -74.9 -32.64 61.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 72.25 110.878 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -38.45 60.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 72.34 110.828 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.63 -38.6 77.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.55 110.896 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.0 m -71.0 -40.13 75.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 75.31 111.129 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -42.58 97.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 75.54 110.919 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -37.59 87.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 64.14 110.853 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -74.44 -41.51 60.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 73.25 110.922 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -51.88 67.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.905 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -22.37 61.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.872 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -67.98 -45.78 73.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 73.21 110.876 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 pp -75.92 -33.45 59.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.93 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -71.31 -27.68 63.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 72.44 110.899 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.0 ptm -89.03 -23.22 22.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 73.44 110.867 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.35 -12.52 49.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 75.3 110.928 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.27 -1.93 14.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.15 111.06 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 46.84 45.35 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.851 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -179.17 124.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 71.31 110.923 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -79.71 90.8 5.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 71.01 110.869 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 mp -54.54 158.83 3.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.637 0.732 . . . . 72.31 110.884 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -49.2 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.736 2.29 . . . . 75.01 112.328 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.73 169.46 10.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 74.42 111.113 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.7 t -124.56 -32.26 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 75.01 111.153 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.1 mt -75.02 71.67 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 73.11 110.938 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.71 -174.32 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.3 110.894 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.506 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 3.6 p90 -159.14 163.61 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.35 110.924 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 39.3 pt -101.61 142.54 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.04 111.132 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.17 -25.84 59.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 72.02 110.897 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.82 -7.57 53.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.42 111.145 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -101.24 -20.2 15.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 75.13 110.898 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.491 HG13 ' CE1' ' A' ' 84' ' ' PHE . 18.4 mm -105.42 -32.49 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 74.23 111.131 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.474 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 1.6 mtp-105 -47.2 -60.87 3.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 74.31 110.858 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.0 Cg_endo -69.72 5.12 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.676 2.251 . . . . 71.2 112.346 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.05 -35.4 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 75.05 110.915 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.3 mt -61.5 -112.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 73.22 110.894 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.503 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 4.1 tt0 -139.28 143.28 37.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 74.25 110.941 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.67 -39.87 91.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 71.41 110.875 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -90.3 21.37 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.857 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.503 ' HB2' ' HB3' ' A' ' 94' ' ' GLN . 8.1 tp -79.69 -23.88 42.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 65.4 110.934 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.7 mtt-85 64.03 164.89 0.12 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.576 0.703 . . . . 74.45 110.863 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 71.84 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.254 . . . . 74.35 112.333 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.51 -31.89 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 72.04 110.882 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.3 -53.87 25.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 74.44 110.887 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.05 -22.44 15.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 63.45 111.095 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -95.44 -19.28 20.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 74.51 110.855 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.41 -18.51 23.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 73.15 111.132 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.625 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 6.8 mm -47.18 -51.95 38.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 72.11 111.126 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.75 -20.01 35.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.246 . . . . 74.1 112.334 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.9 m -85.65 -25.47 26.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 72.33 110.895 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.5 mt -78.88 -32.08 45.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 70.32 110.913 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -82.49 -32.64 28.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.815 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -57.86 -19.68 30.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.879 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 12.0 pt -102.8 -12.66 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 74.03 111.124 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 68.48 54.07 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 75.1 110.902 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.3 mtp85 -118.29 -26.76 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.865 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 pp -147.79 175.98 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 75.22 111.141 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -137.02 170.74 15.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.856 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.3 126.88 12.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.876 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -113.41 104.02 11.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 72.22 110.902 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.62 102.99 2.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 72.45 110.839 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 5.1 m -118.26 82.03 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.847 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 66.76 -139.71 37.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 70.53 112.474 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 1.74 4.13 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.26 . . . . 70.54 112.335 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.4 mt -118.0 177.06 4.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 75.01 110.87 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.0 m -161.72 121.6 2.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 75.11 111.105 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -96.01 167.68 11.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 75.15 110.898 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -150.35 117.41 5.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 73.45 110.933 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -122.37 161.04 45.41 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.636 0.731 . . . . 75.22 110.954 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 95.23 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 72.43 112.363 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 52.99 -173.4 0.35 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.787 -0.72 . . . . 65.13 112.528 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.5 t -110.8 -29.33 8.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 65.15 110.84 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 74.12 110.877 -179.829 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.5 mmm . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.793 0.33 . . . . 63.31 110.892 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 61.85 36.42 16.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 63.41 110.924 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -123.85 103.79 8.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.34 110.832 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -119.87 156.75 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 72.41 111.138 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.27 165.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 73.22 110.88 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.58 -22.69 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 73.03 111.171 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.1 m -153.31 98.67 2.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.573 0.701 . . . . 65.43 111.09 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 157.28 60.79 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 73.44 112.317 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 171.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 63.43 110.91 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 pt -121.0 121.85 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 61.31 111.146 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.87 -166.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 72.41 111.153 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.75 -19.9 66.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.4 110.848 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -82.64 -30.23 29.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 74.23 110.902 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -92.87 -33.99 14.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 75.55 110.869 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -72.1 -35.87 69.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 64.45 110.836 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -67.05 -11.16 56.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 73.12 110.894 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p -76.73 -8.44 57.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.123 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.0 mp -107.52 129.72 23.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 74.23 111.138 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 148.07 64.12 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.718 2.279 . . . . 64.12 112.323 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -56.51 -24.05 43.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.887 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -62.9 -22.21 66.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 75.35 110.905 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -100.27 -38.23 8.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 73.45 110.887 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.4 mt -70.06 -54.22 14.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 74.15 110.94 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.4 -90.15 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 65.32 112.492 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -114.29 23.17 13.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.824 0.345 . . . . 75.31 110.901 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.96 156.27 16.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 73.4 110.911 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 m -135.08 159.48 41.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 64.23 111.145 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.25 -44.49 43.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 75.42 110.914 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.16 -36.49 79.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.862 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.433 ' HA ' HD12 ' A' ' 97' ' ' LEU . 1.5 mmt -64.65 -47.98 76.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.865 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 95.3 mtp -74.93 -31.19 61.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.848 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -59.92 -48.07 83.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 71.51 110.927 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -26.2 56.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 73.02 110.896 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.2 mt -72.68 -52.24 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 74.35 111.151 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.5 t -66.58 -28.13 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 62.24 111.181 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -42.41 64.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.878 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -58.1 6.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 71.11 110.881 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -41.7 66.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 73.45 110.862 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -64.22 -30.9 71.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 71.24 110.855 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -66.31 -49.52 66.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 71.42 110.879 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.55 -50.42 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 71.35 110.873 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.19 -29.04 70.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 64.21 110.935 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 40.6 ttp -67.41 -40.54 85.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 74.44 110.879 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -70.34 -35.2 73.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 74.15 110.922 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -64.18 -53.14 54.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.929 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -62.03 -27.14 68.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 71.14 110.849 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -29.05 62.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.893 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.7 mt -79.45 -32.04 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.52 111.114 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.11 -19.08 65.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 74.24 110.893 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -106.67 -36.5 2.59 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 54.34 112.474 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -178.4 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 75.44 110.913 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.8 t -125.72 173.74 8.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 65.22 111.165 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -56.42 -25.98 51.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 73.52 110.928 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -65.31 -42.08 93.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.886 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -82.76 -35.83 26.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 75.21 110.908 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.92 130.05 21.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 74.32 110.922 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.64 -173.61 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 63.02 111.155 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -50.9 -52.68 39.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.898 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -55.97 -31.17 62.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 75.23 110.873 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -74.59 -33.68 62.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 65.41 110.883 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.98 -35.86 59.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 75.45 110.89 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.27 -35.63 71.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 70.04 110.867 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.4 m -75.17 -38.86 42.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 64.32 111.093 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.25 -45.65 83.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 74.55 110.92 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.15 -35.73 80.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 63.11 110.897 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -73.97 -41.59 61.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.851 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -60.0 -42.26 93.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.902 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.92 -23.86 58.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.81 -42.75 60.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 71.45 110.867 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.8 pp -73.8 -37.96 64.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 75.33 110.906 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -66.75 -34.08 77.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.889 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.1 ptm -88.49 -12.3 43.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.835 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -87.4 -20.28 26.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 72.2 110.91 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.56 -0.4 15.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 74.33 111.153 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 48.1 55.55 8.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.888 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 177.64 129.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.1 110.866 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -81.89 90.78 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 74.52 110.896 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.6 mp -56.13 159.01 6.4 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.635 0.731 . . . . 74.1 110.914 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -48.43 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.68 2.254 . . . . 72.31 112.381 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.36 160.43 16.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 72.34 111.103 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.1 m -119.24 -10.62 9.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 73.31 111.118 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.7 mt -101.03 74.85 1.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 72.15 110.946 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.04 -174.91 3.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 75.21 110.887 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 4.4 p90 -154.17 160.53 41.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.852 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.0 pt -99.97 142.65 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 73.14 111.126 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.39 -21.09 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 74.31 110.903 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -8.25 52.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.41 111.119 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -114.38 0.36 14.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 75.44 110.892 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -123.37 -35.44 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 73.53 111.091 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.507 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 11.4 ttm180 -48.81 -58.48 8.38 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.738 . . . . 75.14 110.9 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.71 6.17 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.728 2.285 . . . . 73.51 112.345 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.25 -27.46 10.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.51 110.862 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 22.2 mt -63.94 -112.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 71.51 110.925 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.406 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 2.4 mt-30 -142.63 125.84 16.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 74.02 110.911 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -63.91 -17.25 63.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 74.14 110.865 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -101.14 -6.91 23.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 75.02 110.839 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 30' ' ' MET . 12.4 tp -69.61 -18.16 63.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 74.22 110.9 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 65.08 164.51 0.12 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.56 0.695 . . . . 74.15 110.883 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 70.17 1.6 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.704 2.269 . . . . 62.04 112.323 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.42 -23.31 16.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 64.11 110.848 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.6 -50.92 59.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.907 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.68 -21.95 12.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 75.21 111.08 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -97.78 -20.33 17.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 74.21 110.944 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.36 -17.06 31.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 64.15 111.077 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.623 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 10.7 mm -46.32 -52.41 28.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 70.25 111.132 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.623 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.8 Cg_endo -69.79 -28.82 24.64 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.674 2.25 . . . . 74.24 112.352 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.1 m -76.16 -18.12 59.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.903 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -91.5 -35.92 14.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 74.51 110.923 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -83.51 -29.45 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 73.33 110.85 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -56.64 -21.21 25.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 63.33 110.84 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 11.5 pt -102.88 -7.86 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.44 111.135 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.27 56.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 75.34 110.853 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.43 -31.99 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 pp -146.59 179.72 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 73.21 111.168 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -143.41 172.54 12.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 75.14 110.877 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.35 126.89 15.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.896 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.59 106.39 14.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 65.51 110.894 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.25 102.48 10.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.889 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 4.8 m -125.35 97.59 5.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 71.1 110.884 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 57.58 -149.63 32.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 75.51 112.456 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 40.98 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.681 2.254 . . . . 74.33 112.329 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.444 ' H ' ' C ' ' A' ' 120' ' ' GLY . 54.2 mt -150.97 169.45 21.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 70.51 110.864 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -152.98 113.05 3.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 70.14 111.145 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -95.82 163.33 13.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 75.51 110.876 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -150.34 118.06 6.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 71.03 110.939 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -121.28 149.27 51.53 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.683 0.754 . . . . 74.32 110.927 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 89.31 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 72.13 112.378 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 48.64 86.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 61.52 112.473 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.23 -34.21 31.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 74.53 110.886 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 40.0 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 74.14 110.873 -179.827 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.803 0.335 . . . . 75.4 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -106.14 175.05 5.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.922 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -112.97 110.55 20.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 71.21 110.885 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -119.59 155.77 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 73.12 111.16 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.62 159.05 9.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.839 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.45 -22.55 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 72.11 111.162 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.8 m -153.16 99.21 2.71 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.642 0.734 . . . . 75.13 111.132 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 173.11 11.44 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.244 . . . . 74.13 112.355 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -71.78 161.76 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 75.44 110.922 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.6 pt -114.93 129.02 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 74.51 111.112 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.61 -171.69 2.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 74.24 111.153 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -21.0 61.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 72.44 110.928 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -72.52 -29.14 63.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 63.52 110.915 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -101.46 -45.33 5.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 65.2 110.923 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -55.85 -34.02 65.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 74.51 110.928 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -9.36 58.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 72.43 110.915 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.27 -2.4 37.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 75.1 111.127 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mp -114.61 132.82 22.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.644 0.735 . . . . 72.54 111.098 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 150.03 67.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 73.34 112.343 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -58.41 -24.39 59.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 74.13 110.898 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -63.69 -20.43 65.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 71.34 110.891 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -104.68 -33.71 8.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.5 -59.01 6.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 74.31 110.882 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.94 70.6 1.02 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.734 . . . . 65.4 112.495 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 67.06 11.59 8.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 72.12 110.863 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.27 159.1 31.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.901 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.72 154.28 45.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 72.25 111.129 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.95 -42.19 48.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.863 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.54 -39.8 85.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 70.44 110.871 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 61.8 mtt -64.05 -46.32 84.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 72.4 110.86 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.2 mtt -74.27 -31.81 62.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.858 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -60.46 -42.63 96.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.01 110.923 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -79.86 -27.88 40.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 72.43 110.873 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.3 mt -72.94 -45.89 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 74.33 111.127 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.37 -28.69 23.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 71.44 111.133 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -72.24 -52.89 14.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 63.33 110.823 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 4.2 mmtt -62.39 -50.19 72.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 73.2 110.875 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.6 ptp -54.63 -38.14 66.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 63.31 110.891 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -68.64 -29.25 67.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 74.04 110.834 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.66 -47.95 65.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.445 . . . . 63.24 110.821 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.02 -40.01 87.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.841 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.39 -32.09 66.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.897 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 60.0 ttp -67.54 -41.33 84.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.874 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -71.08 -34.41 71.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 72.35 110.925 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -63.8 -53.22 54.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.867 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.17 -24.93 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 63.53 110.858 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -28.87 62.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 75.12 110.878 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.0 mt -81.92 -31.8 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.123 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.62 -19.65 63.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 65.14 110.935 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -108.64 -35.26 2.46 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.729 . . . . 64.1 112.526 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -53.7 174.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 75.52 110.87 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.0 t -112.51 167.75 10.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 70.43 111.127 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.93 -23.54 65.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 71.13 110.902 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -75.77 -39.7 56.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 74.3 110.888 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -82.58 -31.57 28.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.878 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.64 136.51 26.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.896 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.25 -177.39 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 75.21 111.165 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -60.05 -44.23 94.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 71.43 110.86 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.2 t -58.4 -34.88 71.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.863 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -73.91 -32.45 63.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 65.12 110.896 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.74 -44.36 50.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 73.51 110.913 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -63.71 -41.76 98.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 73.5 110.904 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 26.8 m -68.42 -37.12 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 72.1 111.105 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.06 -40.58 98.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 72.35 110.897 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.44 -35.62 73.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 70.12 110.831 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -73.75 -45.02 54.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 72.2 110.848 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -61.15 -41.19 96.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.891 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -22.22 58.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.882 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -74.19 -41.27 61.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 73.12 110.896 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 pp -76.29 -35.88 58.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 73.01 110.934 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -71.12 -26.61 63.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 72.34 110.883 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.8 ptm -89.3 -28.03 20.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 75.22 110.906 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -81.82 -12.62 58.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 75.4 110.882 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.52 0.74 9.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 73.41 111.112 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 43.48 38.52 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 73.04 110.881 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -162.56 120.41 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 75.35 110.908 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 -76.97 91.03 3.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 73.45 110.847 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -58.52 159.52 12.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.585 0.707 . . . . 75.35 110.913 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -49.48 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.694 2.262 . . . . 72.33 112.313 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.4 t -95.92 166.88 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 71.31 111.173 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.9 m -120.66 -17.28 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 75.11 111.17 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.0 mt -87.92 74.71 8.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 71.12 110.908 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.35 -174.22 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 75.42 110.901 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 3.7 p90 -156.47 163.43 39.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 72.23 110.865 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 47.3 pt -100.77 143.16 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 74.14 111.122 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.66 -26.52 56.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.91 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -6.75 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 72.24 111.133 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.8 -26.89 14.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 75.54 110.892 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.489 HG13 ' CE1' ' A' ' 84' ' ' PHE . 11.9 mm -101.45 -33.7 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 72.52 111.096 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.506 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.3 OUTLIER -48.02 -59.23 6.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.648 0.737 . . . . 75.12 110.921 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.4 Cg_endo -69.83 7.61 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.626 2.218 . . . . 65.2 112.36 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.409 ' H ' ' C ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -111.85 -27.47 8.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.878 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 45.6 mt -66.41 -116.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 75.21 110.935 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.482 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.7 tt0 -137.31 143.9 42.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 71.5 110.911 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -65.84 -39.15 90.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.878 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -89.51 21.14 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 64.32 110.882 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.482 ' HB2' ' HB3' ' A' ' 94' ' ' GLN . 11.2 tp -83.99 -19.32 34.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 71.15 110.909 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.424 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 56.7 mmt-85 61.28 161.36 0.11 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.627 0.727 . . . . 74.43 110.853 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.8 Cg_endo -69.8 69.51 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 61.22 112.324 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.3 p -98.54 -24.47 15.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 73.34 110.865 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.35 -52.52 44.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 75.45 110.898 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.4 -21.64 16.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 74.32 111.103 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -96.35 -21.11 17.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 74.45 110.905 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.92 -21.75 27.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 72.2 111.066 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.631 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.5 mm -46.88 -51.43 39.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.666 0.746 . . . . 74.23 111.165 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.7 Cg_endo -69.8 -22.95 31.16 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.659 2.239 . . . . 73.32 112.36 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.3 m -82.37 -26.41 32.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 64.02 110.902 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.2 mt -78.98 -39.06 35.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.955 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.07 -29.23 49.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.868 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -56.37 -22.14 29.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.87 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -104.58 -6.66 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 75.4 111.093 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 67.78 56.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.01 110.862 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.06 -30.59 4.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.838 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 pp -144.36 175.41 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 71.15 111.16 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -139.05 175.27 9.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 75.21 110.883 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -155.64 130.69 9.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 74.32 110.911 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.53 119.4 38.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.905 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -86.63 102.89 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.83 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.7 m -126.97 91.17 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 62.13 110.879 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 61.48 -150.26 44.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 41.43 112.449 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 38.79 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.698 2.266 . . . . 73.55 112.309 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.471 ' H ' ' C ' ' A' ' 120' ' ' GLY . 77.5 mt -146.33 166.1 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.55 110.893 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -153.29 114.32 4.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 73.33 111.16 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -96.35 168.67 10.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 74.22 110.86 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -153.11 117.86 5.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.904 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.46 153.11 58.88 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.688 0.756 . . . . 75.43 110.897 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 88.73 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 71.01 112.346 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 45.61 34.42 5.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 73.43 112.507 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.4 152.08 22.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 64.14 110.847 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 36.4 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 64.14 110.829 -179.824 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ttt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.796 0.331 . . . . 65.02 110.873 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -69.21 172.54 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 71.04 110.847 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.29 101.56 8.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 74.01 110.859 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -118.43 154.94 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 73.34 111.151 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.53 149.13 43.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 72.41 110.862 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -100.9 -31.91 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 71.2 111.141 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.4 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 15.8 m -149.25 100.52 3.38 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.621 0.724 . . . . 75.34 111.139 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.4 Cg_endo -69.79 162.53 41.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 74.51 112.358 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -61.07 173.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 72.03 110.884 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.7 pt -122.73 122.43 65.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 75.53 111.134 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.05 -167.27 1.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 75.33 111.097 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -63.17 -20.67 65.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.904 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.71 -29.83 29.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 64.41 110.832 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -91.73 -35.35 14.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 71.34 110.86 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -71.24 -34.88 71.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 75.5 110.917 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -68.48 -10.96 58.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 74.52 110.902 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 p -77.17 -9.48 58.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 72.14 111.167 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.03 129.47 24.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.748 . . . . 75.32 111.145 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 148.61 65.28 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.675 2.25 . . . . 73.1 112.356 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -56.82 -23.92 47.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 74.45 110.878 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -62.9 -22.86 67.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 73.34 110.92 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -99.73 -38.18 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 71.24 110.894 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.0 mt -70.51 -52.95 18.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 70.23 110.943 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.66 -89.21 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 74.44 112.476 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -117.42 23.49 11.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.808 0.337 . . . . 75.43 110.854 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.71 165.4 12.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 74.12 110.885 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -143.89 162.17 36.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 73.23 111.102 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.74 -40.91 55.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 73.34 110.947 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.03 -41.7 98.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.851 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.9 mtt -61.88 -44.37 96.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 64.41 110.897 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 76.8 mtp -75.96 -34.2 59.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 43.53 110.919 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -57.92 -40.44 80.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 75.13 110.862 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -80.84 -35.64 32.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 73.35 110.873 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 50.9 mt -64.66 -46.31 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 75.03 111.119 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.3 t -74.77 -28.64 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.22 111.15 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -72.43 -53.37 12.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 72.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -62.24 -49.77 74.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.89 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.9 tpt -54.52 -45.68 73.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.902 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -65.13 -29.33 70.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 75.5 110.812 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -64.6 -57.14 9.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 71.24 110.835 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CG ' ' CE2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -58.71 -47.81 83.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 71.21 110.877 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.56 -35.65 80.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 62.33 110.912 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 63.5 ttp -61.92 -37.3 84.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 72.41 110.91 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -70.99 -48.19 54.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.947 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.453 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -51.45 -52.53 45.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.912 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 t -62.44 -35.38 79.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 74.14 110.857 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -27.3 62.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 75.4 110.845 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.6 mt -77.64 -31.11 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.427 . . . . 73.51 111.107 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 5.4 mt -62.21 -26.43 68.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.936 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -102.69 -32.13 4.91 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.77 -0.728 . . . . 65.3 112.46 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 171.62 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.346 . . . . 75.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.3 t -118.05 172.13 7.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.53 111.158 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -56.92 -27.02 60.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 74.35 110.842 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -63.15 -46.77 85.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.868 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -82.42 -33.35 28.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 75.52 110.933 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.58 122.5 6.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 75.51 110.933 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 28.7 p -120.86 -172.43 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 74.41 111.107 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -50.28 -53.75 26.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 71.14 110.879 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.0 t -56.99 -30.06 63.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 73.2 110.827 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -73.7 -37.05 65.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.814 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.12 -36.79 47.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 73.11 110.86 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.62 -40.4 88.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.86 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.0 m -72.48 -43.13 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 74.04 111.084 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -44.95 95.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 73.21 110.934 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -38.55 90.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.814 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -71.19 -46.69 60.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 73.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -43.34 73.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 73.41 110.916 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -72.97 -23.25 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 74.52 110.859 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -73.78 -38.69 64.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 74.31 110.895 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.8 mt -76.47 -35.26 58.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.5 110.897 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -71.2 -27.0 63.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 70.14 110.869 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.7 ptm -89.41 -25.05 21.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.45 110.863 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.02 -10.88 51.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 74.54 110.875 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.66 -0.6 13.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 62.31 111.104 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 48.39 30.6 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 74.04 110.841 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.2 tptt 179.72 138.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.02 110.95 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.5 mmt-85 -79.16 96.25 5.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 73.4 110.902 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 mp -49.1 154.62 1.31 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.567 0.699 . . . . 73.13 110.955 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.64 24.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 75.12 112.348 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.78 151.72 44.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.34 111.168 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.1 m -107.93 -22.45 12.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 75.33 111.144 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.3 mt -103.4 65.99 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.893 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -121.86 155.63 34.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 52.32 110.861 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.445 ' CE2' ' CG ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -128.48 176.84 7.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 74.22 110.874 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 30.9 pt -118.24 149.29 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 73.23 111.099 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.36 -28.62 69.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 73.24 110.938 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -9.3 44.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 72.23 111.104 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.1 2.71 18.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 74.02 110.848 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.8 mm -124.41 -41.05 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 74.44 111.163 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.491 ' C ' ' H ' ' A' ' 92' ' ' MET . 0.0 OUTLIER -56.75 -60.4 9.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.645 0.736 . . . . 75.01 110.887 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.1 Cg_endo -69.75 19.72 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.729 2.286 . . . . 75.23 112.295 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.491 ' H ' ' C ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -120.73 -26.2 5.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 74.43 110.88 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.62 -121.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.912 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.476 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 4.2 tt0 -122.48 145.71 48.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 71.31 110.919 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -68.06 -35.91 79.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.867 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -89.2 14.16 11.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 65.11 110.872 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 94' ' ' GLN . 13.8 tp -77.18 -22.34 52.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.926 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 64.38 163.9 0.12 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 75.41 110.854 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 69.62 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.683 2.255 . . . . 74.34 112.343 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 81.5 p -98.06 -25.45 14.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 71.51 110.872 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -50.93 -51.56 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 73.22 110.871 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.0 -22.97 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 74.41 111.067 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -97.87 -19.97 17.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 75.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.82 -18.99 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 55.21 111.069 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.629 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 19.7 mm -46.98 -51.56 39.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.603 0.716 . . . . 73.01 111.151 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.629 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.82 -29.81 23.01 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.698 2.265 . . . . 74.24 112.279 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 8.3 m -74.9 -20.14 59.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 74.45 110.872 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -88.47 -41.44 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 73.44 110.927 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -77.04 -32.28 56.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 72.55 110.859 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -55.9 -22.74 27.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 71.43 110.878 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 24.8 pt -104.43 -9.1 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 72.43 111.131 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.52 56.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 75.3 110.86 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.8 -36.08 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.882 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 pp -148.21 -179.03 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.21 111.143 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -143.8 176.28 9.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.896 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 124' ' ' PHE . 2.9 pm0 -144.84 133.65 22.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 72.51 110.927 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.79 105.3 13.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 75.53 110.884 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.9 tpp85 -73.24 103.05 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.905 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 15.7 m -117.77 82.24 1.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 62.13 110.873 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 69.08 -139.83 33.21 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 73.54 112.44 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 0.78 5.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 75.25 112.374 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.0 mt -116.0 172.79 6.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 72.02 110.95 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.9 m -152.53 121.9 6.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 73.3 111.168 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 84.1 m-85 -101.53 177.03 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 64.22 110.879 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -152.81 123.92 7.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 72.31 110.924 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.445 ' HB2' ' HD2' ' A' ' 127' ' ' PRO . 3.8 p90 -120.96 159.88 47.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 75.33 110.935 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 126' ' ' TYR . 53.6 Cg_endo -69.81 102.26 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 45.53 112.342 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 47.85 -132.81 17.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 71.24 112.482 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 78.2 p -145.78 128.83 16.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.388 . . . . 72.1 110.863 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 89.2 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 72.44 110.86 -179.826 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.039 0 CA-C-O 120.783 0.325 . . . . 71.33 110.863 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -105.56 169.99 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.899 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -120.75 98.64 6.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.21 110.84 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -115.94 161.55 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.34 111.094 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -79.86 173.94 12.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 72.34 110.893 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.06 -19.75 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 71.33 111.108 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 m -153.35 103.02 2.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 71.42 111.098 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 147.89 64.01 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.717 2.278 . . . . 75.51 112.315 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -51.15 167.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.912 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.1 pt -116.42 133.54 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 74.12 111.169 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.44 -172.85 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.14 111.095 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.29 -21.6 35.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 71.21 110.897 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -68.14 -29.69 68.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 73.21 110.912 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -104.42 -47.42 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 53.21 110.897 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -52.92 -33.16 49.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 74.12 110.854 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -21.48 52.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.931 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 t -76.88 -6.58 53.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 72.13 111.175 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.3 mt -119.87 94.81 48.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.667 0.746 . . . . 63.31 111.178 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 165.27 31.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 73.43 112.348 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -52.03 -24.4 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 75.42 110.915 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -61.25 -22.16 64.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 73.4 110.874 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -115.37 -32.16 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 64.45 110.925 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.5 mt -61.19 -57.84 10.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 75.42 110.943 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.52 76.98 0.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 75.23 112.49 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 68.15 12.08 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 65.34 110.859 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mt -91.64 172.24 8.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 73.22 110.904 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -156.59 163.45 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 72.44 111.121 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.38 -41.51 69.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.925 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -38.31 84.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.883 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -47.23 85.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 72.04 110.862 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 13.2 mtm -75.62 -34.49 60.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 74.12 110.909 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -56.44 -42.69 78.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 65.45 110.924 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -80.32 -35.09 36.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 71.31 110.913 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.3 mt -64.54 -46.39 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 75.42 111.126 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.7 t -75.23 -28.46 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 75.02 111.135 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -73.06 -47.89 40.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.896 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -66.4 -55.39 16.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 74.15 110.895 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -53.3 -38.62 63.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 63.41 110.861 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -69.12 -29.13 67.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.21 110.891 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.42 -51.94 45.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 63.35 110.828 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -63.22 -41.14 99.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 74.32 110.893 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.89 -31.55 66.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 64.24 110.911 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 37.0 ttp -65.67 -40.8 92.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.905 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.42 -36.95 66.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 75.43 110.871 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.447 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 3.3 mtmt -59.51 -52.68 64.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 75.21 110.894 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 t -65.0 -32.99 74.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.843 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -30.16 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.2 110.942 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -83.52 -32.21 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 75.52 111.186 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 5.5 mt -63.65 -16.94 62.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.883 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -108.87 -35.93 2.29 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.777 -0.725 . . . . 71.52 112.479 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.52 174.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 74.34 110.885 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 p -120.87 177.45 5.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 63.52 111.111 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -59.39 -20.83 57.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 61.53 110.87 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -72.14 -31.75 66.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.931 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 mp0 -99.78 -25.54 14.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.895 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tt -51.1 118.96 3.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 74.03 110.975 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.8 p -124.74 -171.78 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 71.35 111.131 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -50.49 -42.98 55.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.908 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.65 -28.64 69.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.87 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -74.48 -34.94 63.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 73.5 110.812 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.75 -35.95 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 71.34 110.875 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 63' ' ' VAL . 0.8 OUTLIER -69.48 -36.92 76.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.0 110.843 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.408 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 32.7 m -75.03 -41.77 45.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 64.1 111.13 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.85 -45.58 93.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 70.52 110.963 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.95 -41.81 90.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.884 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -66.68 -46.72 74.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 72.14 110.899 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.34 -48.45 74.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.943 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -23.88 67.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 62.41 110.923 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -32.55 65.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 75.22 110.923 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.03 -40.18 39.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 74.24 110.906 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.81 -28.43 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 73.53 110.866 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.1 ptp -87.14 -22.38 25.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 74.11 110.889 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -83.5 -16.49 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.35 110.885 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.75 0.62 17.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 63.52 111.069 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 48.76 34.64 5.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 75.12 110.834 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.81 177.13 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 72.43 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -110.67 95.04 5.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 75.35 110.905 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 mp -51.12 161.54 0.71 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.656 0.741 . . . . 64.34 110.89 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -37.79 8.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 71.12 112.345 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.18 172.04 8.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 71.0 111.182 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.4 m -120.66 -20.38 7.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 74.12 111.099 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.9 mt -106.44 75.25 1.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 73.32 110.904 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -133.25 162.99 30.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.865 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.458 ' CE1' HG13 ' A' ' 89' ' ' ILE . 4.8 p90 -139.41 175.2 9.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 75.54 110.913 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.8 pt -106.51 146.45 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 73.22 111.144 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -26.57 57.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 64.33 110.895 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -7.12 53.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 74.32 111.133 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -97.24 -21.35 17.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.85 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.458 HG13 ' CE1' ' A' ' 84' ' ' PHE . 12.0 mm -109.14 -32.08 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 73.43 111.091 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.519 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 2.2 ttp85 -49.54 -58.31 9.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.54 0.686 . . . . 73.43 110.846 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.3 Cg_endo -69.72 4.82 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.692 2.261 . . . . 73.14 112.345 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -32.46 8.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.42 110.881 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 83.1 mt -64.45 -113.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.882 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.507 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.7 tt0 -141.63 145.86 35.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.914 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -69.31 -39.48 78.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 72.24 110.866 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.8 13.47 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 74.52 110.891 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 94' ' ' GLN . 12.2 tp -77.94 -23.31 48.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.925 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 64.41 164.09 0.12 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.699 . . . . 73.04 110.866 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 70.96 1.57 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.639 2.226 . . . . 74.41 112.359 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.57 -25.49 14.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 72.32 110.847 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.38 -50.85 58.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.54 110.843 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.34 -22.03 11.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 62.53 111.06 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -99.43 -19.86 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 75.54 110.923 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.63 -17.77 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.32 111.112 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.629 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 17.2 mm -46.29 -52.12 30.32 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 71.13 111.106 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.629 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.3 Cg_endo -69.73 -32.7 18.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.632 2.221 . . . . 73.25 112.383 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.0 m -74.0 -17.59 60.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 74.35 110.875 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -92.51 -39.29 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 75.13 110.911 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -79.35 -31.22 42.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.913 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -56.72 -21.01 24.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 75.13 110.821 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 15.2 pt -106.46 -7.7 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 75.5 111.123 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 71.57 56.98 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.862 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -116.26 -33.06 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 75.23 110.887 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 pp -149.48 -178.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.124 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -146.08 174.29 11.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.846 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.29 131.29 23.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 75.23 110.871 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.43 104.61 12.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 73.34 110.906 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.74 101.55 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 73.14 110.852 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 17.5 m -117.35 82.17 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 74.3 110.903 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.402 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 69.67 -139.68 32.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 71.23 112.469 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.402 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 54.3 Cg_endo -69.73 0.72 5.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.248 . . . . 55.4 112.332 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.6 mt -114.01 175.81 5.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 72.01 110.913 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.4 m -157.54 115.78 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 65.34 111.168 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.429 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 64.4 m-85 -97.49 174.13 6.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 73.35 110.837 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -150.7 123.09 8.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 75.33 110.898 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.4 ' HB2' ' HD2' ' A' ' 127' ' ' PRO . 5.3 p90 -121.44 158.32 53.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.641 0.734 . . . . 75.1 110.979 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 126' ' ' TYR . 54.0 Cg_endo -69.76 105.93 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.657 2.238 . . . . 74.14 112.331 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 50.46 -137.76 24.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 74.32 112.523 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.1 t -146.51 96.49 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 73.03 110.876 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 11.6 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 71.34 110.883 -179.812 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.769 0.319 . . . . 75.43 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -122.24 139.03 54.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 74.44 110.9 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -120.87 116.99 26.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 72.32 110.845 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -118.2 158.35 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 75.44 111.158 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -64.3 174.15 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 75.04 110.826 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.413 HD11 ' HA ' ' A' ' 43' ' ' MET . 2.4 mp -121.61 -30.83 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.35 111.126 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 m -154.26 101.14 2.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.722 . . . . 72.1 111.122 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 177.97 5.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.638 2.226 . . . . 75.21 112.344 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -75.77 158.56 32.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 71.21 110.919 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.3 pt -112.61 125.5 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 73.52 111.119 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.48 -169.07 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 74.14 111.15 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.19 -19.94 65.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 75.52 110.897 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -78.99 -29.4 43.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 74.53 110.862 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -96.21 -33.83 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 71.44 110.853 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -71.5 -32.62 68.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 73.13 110.875 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -69.73 -9.14 53.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.22 110.926 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 p -76.7 -7.3 55.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 64.55 111.114 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mp -108.46 130.52 22.66 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.629 0.728 . . . . 74.54 111.16 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 149.21 66.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.252 . . . . 74.01 112.31 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.39 -21.67 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.895 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -65.62 -23.4 66.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 73.05 110.92 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -97.96 -40.7 8.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 75.21 110.92 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 mt -64.86 -54.8 25.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 63.23 110.93 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.24 -88.61 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 61.11 112.522 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -116.78 19.36 14.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 73.43 110.846 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.42 160.1 14.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 74.24 110.934 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.22 165.71 26.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.12 111.125 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.16 -41.99 60.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.941 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -39.7 91.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.885 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.2 mtt -62.62 -44.03 97.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.873 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.6 mtt -75.4 -37.27 60.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 73.54 110.862 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -56.12 -41.85 75.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 71.21 110.902 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -79.4 -31.2 42.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.894 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.1 mt -68.15 -46.83 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 75.41 111.097 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 t -74.35 -28.49 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 73.05 111.14 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -72.44 -53.65 11.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.879 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -61.52 -51.94 66.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 74.35 110.903 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 8.4 ptm -53.71 -41.29 66.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 65.1 110.897 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -68.43 -28.88 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 54.33 110.882 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -66.59 -45.4 79.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 75.02 110.849 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -67.79 -43.63 79.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.873 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.77 -26.39 62.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.41 110.893 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.413 ' HA ' HD11 ' A' ' 6' ' ' ILE . 3.6 tpt -71.46 -42.05 68.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 72.54 110.857 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -72.1 -37.74 69.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 65.53 110.91 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -63.22 -53.51 51.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 72.33 110.899 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 t -61.47 -28.11 69.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 64.3 110.873 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -30.13 66.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 75.42 110.908 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.5 mt -78.98 -33.07 15.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 64.3 111.119 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.34 -16.98 62.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.89 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.67 -28.35 4.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 74.31 112.485 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -174.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 75.22 110.891 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -121.36 -171.93 2.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 70.45 111.138 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.82 -5.77 47.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 73.32 110.873 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -88.69 -39.56 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 72.3 110.908 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -84.28 -27.61 27.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 73.33 110.88 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.25 129.1 20.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.937 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.0 p -113.35 -174.0 2.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 53.22 111.161 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.5 ptt85 -59.49 -46.31 89.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.911 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.1 t -62.97 -27.31 69.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 74.01 110.834 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -73.91 -31.92 63.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 72.51 110.869 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -43.95 43.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 75.04 110.847 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -64.14 -38.28 90.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 75.41 110.898 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -72.51 -38.62 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 72.43 111.126 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -44.14 97.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.45 110.919 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -32.19 70.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.88 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -75.68 -39.51 57.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 74.42 110.917 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -39.86 93.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 74.51 110.951 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -24.87 55.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.85 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -43.03 66.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 70.24 110.917 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.5 pp -75.57 -33.9 60.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 75.21 110.913 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.01 -33.64 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.919 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.02 -17.52 31.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.848 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.71 -16.19 42.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 71.42 110.903 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.4 -0.36 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 65.21 111.135 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 48.32 36.44 6.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 73.3 110.856 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.52 170.51 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 75.24 110.911 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -108.87 92.47 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 64.42 110.858 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.6 mp -50.64 162.59 0.54 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.709 . . . . 75.42 110.936 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -42.98 2.87 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 72.41 112.306 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.0 t -96.48 164.65 12.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 75.03 111.137 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.0 m -121.39 -8.33 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 64.14 111.101 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.7 mt -107.59 76.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 73.04 110.916 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.34 -175.69 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.901 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 3.8 p90 -155.58 165.74 35.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 65.45 110.858 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.1 pt -98.44 151.11 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 73.21 111.101 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.77 -24.24 59.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.912 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.0 t -75.07 -8.57 56.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 73.14 111.14 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -105.18 -16.84 14.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 71.3 110.845 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.0 mm -106.28 -33.64 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.52 111.159 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.496 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 9.4 ttp180 -54.08 -59.02 11.01 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.737 . . . . 74.45 110.917 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.79 4.98 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 74.04 112.326 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -105.41 -24.31 12.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 72.1 110.883 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.407 ' HB3' HD23 ' A' ' 97' ' ' LEU . 83.3 mt -70.12 -108.65 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 74.22 110.918 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -135.22 136.18 41.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 61.54 110.884 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.68 -21.11 66.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 65.11 110.855 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -101.3 -4.36 27.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.52 110.907 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.407 HD23 ' HB3' ' A' ' 93' ' ' LEU . 18.5 tp -65.63 -23.39 66.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 72.54 110.918 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 64.08 163.62 0.12 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.557 0.694 . . . . 72.41 110.897 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 70.19 1.61 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.699 2.266 . . . . 73.21 112.338 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.9 p -98.4 -17.42 18.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 64.42 110.847 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.91 -51.16 54.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 72.45 110.908 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.12 -22.61 11.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 70.25 111.098 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.13 -22.05 17.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 71.23 110.902 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.31 -19.71 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 70.14 111.101 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.625 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 13.9 mm -46.84 -51.75 36.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 72.5 111.106 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.77 -25.91 28.06 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 63.02 112.319 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.8 m -80.7 -19.68 44.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 75.2 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -92.14 -32.97 14.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 72.33 110.892 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -85.73 -27.78 25.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 75.43 110.877 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -56.03 -21.22 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 75.02 110.849 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 14.1 pt -99.78 -13.08 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 73.43 111.13 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.28 56.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.9 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -120.98 -33.14 3.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 72.34 110.865 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 pp -140.6 177.94 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.53 111.134 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 29.0 mtp180 -144.55 175.62 10.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 73.22 110.84 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -148.09 129.41 14.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 64.02 110.895 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -113.13 107.08 15.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 73.54 110.883 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -80.5 102.34 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.34 110.917 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 4.8 m -125.25 94.56 4.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.898 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.46 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 59.62 -149.26 40.5 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.758 -0.734 . . . . 71.32 112.505 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 39.97 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.247 . . . . 71.03 112.362 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.46 ' H ' ' C ' ' A' ' 120' ' ' GLY . 43.8 mt -148.73 168.05 23.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.896 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.14 111.38 3.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 74.24 111.176 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.413 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 23.2 m-85 -95.18 166.2 12.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 72.43 110.881 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -150.93 117.7 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 73.34 110.89 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -123.27 157.04 62.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.66 0.743 . . . . 73.33 110.912 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 88.93 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.639 2.226 . . . . 74.35 112.328 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 53.76 -176.86 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 74.11 112.487 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.94 106.8 18.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.906 0.384 . . . . 74.12 110.861 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 53.6 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 71.11 110.838 -179.808 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 tpt . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.77 0.319 . . . . 70.11 110.855 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -115.51 167.41 10.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 62.4 110.933 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -92.51 107.26 19.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.879 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -116.95 161.53 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.116 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -88.59 167.36 13.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 70.14 110.818 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.5 mp -105.38 -30.33 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 74.51 111.1 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 m -149.39 116.64 3.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.731 . . . . 73.24 111.153 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -167.58 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.665 2.243 . . . . 75.45 112.349 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -92.98 162.9 13.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 72.42 110.916 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.1 pt -112.39 133.12 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.104 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.41 -170.96 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 74.13 111.123 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -58.24 -21.69 49.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 75.25 110.893 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.96 -28.9 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 75.33 110.887 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -101.64 -45.78 5.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 72.53 110.868 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -55.28 -35.16 64.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 74.43 110.866 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -15.18 62.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.911 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.39 -7.73 56.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 74.31 111.174 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.34 124.52 35.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.707 . . . . 75.42 111.086 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 149.39 66.97 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.634 2.223 . . . . 73.32 112.343 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -54.98 -26.35 36.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 75.03 110.885 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -62.79 -20.04 64.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.903 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -105.32 -35.24 7.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 65.43 110.914 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.5 mt -60.58 -59.6 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.914 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.82 72.05 0.72 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 33.15 112.504 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 mmt-85 67.31 11.43 8.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 73.04 110.891 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mt -78.67 166.58 22.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.946 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.8 158.99 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.03 111.128 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.78 -41.4 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.906 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.42 -38.15 83.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 73.1 110.919 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -48.67 76.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 73.05 110.897 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 79.9 mtp -74.47 -32.67 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 73.51 110.92 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 36' ' ' SER . 3.3 t30 -58.6 -45.64 88.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 75.2 110.895 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.406 ' HG3' HD23 ' A' ' 97' ' ' LEU . 8.5 pt-20 -78.22 -27.96 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 64.23 110.879 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.0 mt -71.65 -44.06 70.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 73.21 111.16 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.9 t -74.1 -35.26 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.33 111.156 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' ' 32' ' ' ASN . 3.1 p -71.23 -36.66 71.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.884 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.89 -49.78 19.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.879 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.41 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . 12.7 ptp -55.2 -42.87 73.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 72.43 110.871 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.4 ' N ' ' HG3' ' A' ' 38' ' ' MET . 0.0 OUTLIER -70.43 -30.64 67.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 70.3 110.887 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -64.02 -49.33 72.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 72.02 110.881 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -66.05 -42.94 88.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.892 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.19 -27.7 64.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.91 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 43.4 ttp -70.39 -42.96 71.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 74.25 110.89 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.78 -35.79 72.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 75.13 110.899 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -64.38 -52.61 57.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.915 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 t -62.56 -26.2 68.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 74.42 110.882 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.38 -29.89 62.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.892 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.4 mt -80.03 -32.06 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 74.52 111.177 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.8 mt -61.48 -21.1 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 73.44 110.939 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -108.95 -28.64 4.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 60.22 112.495 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -61.99 -174.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 73.44 110.9 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.0 t -123.59 168.0 13.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.136 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -56.54 -26.29 54.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 64.13 110.842 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -71.45 -38.11 71.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 71.51 110.88 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -84.57 -30.42 25.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.944 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.94 129.4 23.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.42 110.956 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.7 p -112.2 -173.76 2.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 64.02 111.138 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -58.49 -55.98 27.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 74.13 110.87 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.4 m -53.87 -28.94 39.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 75.15 110.887 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -73.94 -31.34 62.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 74.3 110.858 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -42.56 48.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.854 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.89 -38.59 89.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 71.31 110.878 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.0 m -71.46 -40.41 72.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 74.02 111.164 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.64 -44.79 95.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 73.33 110.884 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -38.46 89.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.896 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -73.16 -35.65 66.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.871 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -47.29 84.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.951 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -23.87 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 63.31 110.856 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -70.14 -45.23 67.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 72.01 110.89 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.4 pp -74.68 -29.97 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 75.33 110.885 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -68.58 -35.85 77.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 74.42 110.867 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.6 ptm -87.99 -15.1 37.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.874 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.54 -14.89 36.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 74.33 110.883 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.25 -2.16 17.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 74.33 111.09 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 47.25 38.65 7.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 62.34 110.915 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.5 tttp 179.55 172.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 73.33 110.906 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.08 90.41 3.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 73.3 110.901 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 mp -51.57 160.99 0.9 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.619 0.723 . . . . 72.42 110.918 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -47.14 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.668 2.246 . . . . 70.53 112.361 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.5 m -88.14 157.82 18.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 71.3 111.167 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.4 m -115.38 -24.08 8.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 73.03 111.13 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.2 mt -95.63 76.18 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 75.05 110.924 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.47 -173.76 3.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.854 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 4.4 p90 -158.12 166.49 32.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 73.13 110.877 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.7 pt -101.62 142.38 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 75.12 111.169 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.31 -25.44 59.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 74.21 110.935 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -6.58 48.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 74.33 111.109 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -102.51 -16.83 16.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.875 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.449 HG13 ' CE1' ' A' ' 84' ' ' PHE . 13.1 mm -109.69 -38.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 74.22 111.131 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.512 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 3.5 ttp180 -49.07 -58.78 7.75 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.56 0.695 . . . . 74.02 110.843 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.8 4.27 2.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.624 2.216 . . . . 51.04 112.316 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.12 -31.87 8.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.882 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.93 -111.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 70.12 110.926 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -138.73 131.55 29.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 75.35 110.921 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -60.28 -21.61 62.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 71.1 110.886 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -101.75 -2.69 29.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 70.53 110.841 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.406 HD23 ' HG3' ' A' ' 33' ' ' GLU . 18.0 tp -65.11 -19.48 66.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 63.22 110.904 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.465 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 8.8 mmt180 65.69 157.94 0.13 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.619 0.723 . . . . 75.41 110.836 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 54.1 Cg_endo -69.72 69.73 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.685 2.256 . . . . 75.04 112.36 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 m -97.94 -15.07 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 75.32 110.813 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -51.17 55.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 72.22 110.889 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.68 -21.73 19.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 74.53 111.108 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.89 -18.88 19.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.87 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.65 -17.64 24.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 72.11 111.093 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.611 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.6 mm -45.53 -52.9 21.14 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 74.53 111.138 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.8 Cg_endo -69.76 -30.7 21.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.693 2.262 . . . . 72.52 112.334 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 7.7 m -73.91 -16.87 61.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 63.12 110.864 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -92.65 -36.34 13.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 75.11 110.957 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -86.24 -23.82 26.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 72.24 110.869 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -56.08 -24.03 37.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.04 110.894 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.83 -2.72 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.44 111.112 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 68.4 56.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 75.21 110.861 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -115.83 -31.07 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 73.13 110.915 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 pp -148.49 -179.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 73.3 111.129 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -141.86 174.67 10.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 75.15 110.914 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.95 126.7 13.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.846 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -113.05 104.7 12.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 73.22 110.92 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.32 103.56 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.892 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 10.0 m -119.81 81.63 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 74.43 110.832 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 69.23 -140.83 34.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 65.41 112.494 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.47 3.49 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 71.13 112.375 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -116.66 176.44 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.903 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.5 m -161.59 120.32 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.5 111.123 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -96.67 167.85 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 63.22 110.903 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -151.48 117.17 5.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 72.32 110.901 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.16 145.68 42.57 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.721 0.772 . . . . 74.51 110.888 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 89.95 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.269 . . . . 71.14 112.318 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 47.09 85.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 73.43 112.47 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 74.0 m -149.91 113.59 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 62.3 110.878 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 74.33 110.887 -179.808 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mmt . . . . . 0 N--CA 1.458 -0.037 0 CA-C-O 120.819 0.342 . . . . 71.41 110.913 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -117.5 131.21 56.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.879 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -140.64 102.19 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 73.43 110.85 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -118.99 154.8 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.32 111.082 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.58 145.42 28.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 74.11 110.87 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 mp -94.43 -34.7 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 75.2 111.16 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.409 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 10.7 m -152.47 100.55 2.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.613 0.72 . . . . 74.44 111.15 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.9 Cg_endo -69.75 169.51 18.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.23 . . . . 74.11 112.334 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -63.33 165.9 7.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 62.31 110.959 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.1 pt -119.06 121.99 68.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 75.5 111.149 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.75 -171.36 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 73.1 111.117 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -19.64 60.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.884 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -77.86 -28.81 50.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.871 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -98.24 -46.82 5.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 74.51 110.885 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -56.84 -28.89 62.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 73.11 110.878 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -71.59 -8.69 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.935 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.8 t -76.79 -10.55 59.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 61.33 111.115 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mp -105.51 130.27 23.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.613 0.721 . . . . 75.12 111.081 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.39 62.81 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.67 2.247 . . . . 72.25 112.373 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -56.33 -24.16 41.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.911 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -63.0 -23.66 67.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 72.22 110.912 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -97.72 -41.0 8.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 74.35 110.927 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.33 -55.23 22.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 65.42 110.962 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.99 -93.08 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.75 . . . . 75.33 112.459 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -109.61 24.65 12.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 74.12 110.869 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.33 170.96 8.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.897 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -153.31 161.34 42.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.55 111.189 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.14 -42.45 60.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 74.53 110.926 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -41.22 92.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 75.45 110.936 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.8 mtt -62.78 -44.62 95.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 71.32 110.908 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.3 mtm -74.89 -33.12 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 74.32 110.901 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -59.46 -41.94 90.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.15 110.894 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -80.28 -29.7 38.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.913 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.9 mt -71.43 -45.79 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 75.35 111.112 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.9 t -74.77 -29.33 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 75.44 111.157 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -73.31 -39.38 65.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 73.02 110.864 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.47 -48.62 39.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 73.52 110.916 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.5 ptp -56.66 -42.15 78.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 70.23 110.867 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -31.35 70.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.889 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -61.87 -56.38 19.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.4 110.877 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -47.59 85.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 71.15 110.886 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.93 -29.65 70.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 74.32 110.901 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.3 tpt -67.84 -37.94 82.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 73.4 110.859 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -36.51 71.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.892 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 56.8 tttp -64.66 -52.36 57.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 75.54 110.855 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.8 p -62.24 -27.52 69.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 75.53 110.843 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -28.84 62.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 74.22 110.919 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.9 mt -80.43 -31.74 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 74.44 111.129 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 5.6 mt -62.86 -22.43 66.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 72.35 110.927 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -104.25 -36.72 3.05 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 73.14 112.455 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 169.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.918 0.39 . . . . 73.54 110.84 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.21 160.53 15.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 71.2 111.148 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -55.9 -25.21 41.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 72.51 110.855 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -75.79 -37.31 59.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.849 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -82.43 -30.18 30.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 62.31 110.957 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.42 134.29 28.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 72.14 110.924 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.7 t -114.37 175.04 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 62.43 111.158 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -53.32 -49.37 67.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 64.7 m -52.7 -33.51 48.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.898 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -73.74 -31.93 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 74.45 110.925 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -75.84 -41.55 52.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 74.4 110.898 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.43 -36.93 84.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.861 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.1 m -73.66 -38.48 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 71.14 111.139 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.0 -47.56 84.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 73.35 110.898 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -33.45 75.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 73.01 110.866 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -74.11 -40.32 62.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 74.15 110.857 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 18.9 m0 -62.06 -48.11 81.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 70.53 110.917 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.83 -23.91 59.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 74.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -69.51 -43.09 73.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.34 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.3 pp -76.36 -34.07 58.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 71.51 110.908 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -74.28 -27.18 60.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 74.2 110.884 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.1 ptm -88.75 -23.34 22.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 63.32 110.863 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.34 -12.18 41.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 64.12 110.873 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.67 -0.13 12.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 73.11 111.113 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 48.52 55.01 9.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 74.41 110.884 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.78 124.84 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 75.1 110.9 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -80.72 91.1 5.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.86 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 mp -65.09 150.73 95.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.616 0.722 . . . . 74.01 110.887 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -48.59 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 71.51 112.384 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.46 154.84 34.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 63.25 111.138 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.1 m -118.92 -17.91 8.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 72.11 111.156 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.9 mt -100.79 77.29 1.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.893 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.93 -173.84 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.871 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.458 ' CE1' HG13 ' A' ' 89' ' ' ILE . 4.2 p90 -155.05 170.26 22.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 73.34 110.817 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 42.5 pt -104.39 147.7 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 75.22 111.083 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -29.54 60.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 75.54 110.903 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -6.44 49.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 72.45 111.182 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -101.35 -6.03 24.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 73.33 110.825 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.458 HG13 ' CE1' ' A' ' 84' ' ' PHE . 11.1 mm -123.73 -40.98 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 75.42 111.145 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.495 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 7.9 ttp180 -48.3 -59.73 5.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 74.43 110.852 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.4 Cg_endo -69.76 12.36 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 75.1 112.344 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.463 ' H ' ' C ' ' A' ' 90' ' ' ARG . 0.1 OUTLIER -118.7 -25.85 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 72.02 110.891 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 40.9 mt -65.21 -116.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.443 . . . . 73.55 110.91 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.31 141.66 47.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 75.15 110.872 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -68.91 -25.11 64.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 70.11 110.854 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -100.46 -3.73 30.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 73.41 110.83 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.8 tp -65.98 -19.31 65.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 70.3 110.917 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 23.3 mmm-85 63.51 155.62 0.12 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.709 . . . . 74.34 110.852 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 70.9 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 72.41 112.302 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.0 p -96.95 -12.8 22.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 75.11 110.893 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.62 -51.5 55.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 65.22 110.873 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.03 -21.57 12.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 75.32 111.09 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.02 -20.84 17.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 74.54 110.915 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.28 -19.95 29.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 71.24 111.067 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.636 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 12.8 mm -48.87 -51.08 57.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.59 0.709 . . . . 74.3 111.113 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.0 Cg_endo -69.72 -15.93 37.48 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.75 2.3 . . . . 75.42 112.329 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 13.1 m -94.99 -17.32 22.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 60.14 110.936 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -95.25 -22.32 17.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 73.42 110.929 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -87.55 -31.56 19.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.845 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -56.4 -21.16 23.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.85 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.401 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 5.7 pt -101.1 -9.15 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 75.45 111.144 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 69.69 14.39 8.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 74.45 110.902 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -69.21 -31.58 70.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 75.2 110.901 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.4 pp -150.27 -178.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 64.43 111.132 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.9 mtp85 -144.33 175.22 10.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 75.41 110.877 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -149.55 127.28 11.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.42 110.86 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -113.23 103.94 11.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.909 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.71 102.11 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 75.23 110.856 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 4.9 m -117.18 81.83 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 75.22 110.88 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 66.95 -140.17 37.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 53.24 112.472 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 3.14 2.92 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.697 2.265 . . . . 75.02 112.368 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.6 mt -117.0 175.68 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.888 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.6 m -161.23 118.65 2.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 74.45 111.139 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -96.4 168.51 10.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 73.32 110.841 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -151.28 118.4 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 73.52 110.941 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -124.34 149.35 60.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.65 0.738 . . . . 73.42 110.925 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 95.43 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 62.53 112.339 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 44.24 85.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 72.03 112.491 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.62 -61.11 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 74.22 110.85 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 71.32 110.826 -179.792 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.782 0.325 . . . . 72.11 110.893 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -93.82 114.91 27.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 54.33 110.909 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -60.07 118.66 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 74.31 110.828 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -119.76 156.4 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 75.5 111.107 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.43 163.3 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 75.54 110.856 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.77 -20.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.03 111.162 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.1 m -154.28 99.7 2.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.643 0.735 . . . . 73.15 111.101 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 164.17 35.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.24 . . . . 74.22 112.316 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -69.11 170.81 9.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 64.5 110.882 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.1 pt -121.89 114.5 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 74.03 111.114 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.72 -169.19 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 75.4 111.122 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 25.6 t0 -61.6 -21.94 64.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 71.04 110.855 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -84.2 -26.03 29.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.893 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -95.79 -23.58 16.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 65.14 110.909 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -89.01 -25.38 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 74.31 110.869 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -67.37 -9.51 42.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 73.33 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 t -76.86 -19.73 57.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 65.04 111.173 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.5 mp -103.92 113.66 65.2 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.592 0.71 . . . . 73.05 111.115 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 158.97 55.16 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 74.32 112.349 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -20.8 29.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.896 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -61.8 -20.24 63.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.978 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -111.01 -36.28 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.938 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 mt -71.11 -51.87 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.857 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.75 -92.82 0.11 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 74.11 112.474 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -106.89 24.04 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 75.44 110.839 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.74 170.8 7.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 74.52 110.949 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.08 164.08 39.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 64.43 111.166 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -52.6 -43.26 65.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.945 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.84 -39.28 84.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.845 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.401 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -61.36 -47.52 85.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.878 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.9 mtm -75.2 -33.85 61.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 73.12 110.88 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -56.59 -42.04 78.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 73.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -81.22 -34.24 32.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.901 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.0 mt -64.01 -46.39 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 75.32 111.124 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.6 t -75.74 -33.43 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 75.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -67.75 -53.35 27.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 72.14 110.876 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -64.87 -50.75 65.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 70.02 110.921 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 28.5 ttt -52.87 -43.25 65.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.851 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -65.96 -29.54 69.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 63.42 110.858 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.12 -52.78 53.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.842 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -43.42 98.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 74.13 110.876 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.3 -29.1 67.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 75.31 110.919 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 56.5 ttp -69.7 -38.39 76.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 73.31 110.855 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -72.24 -38.24 68.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.874 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 19.9 tttp -63.26 -51.71 65.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 71.45 110.916 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.5 p -63.21 -27.79 69.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 75.41 110.846 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -30.03 65.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 75.32 110.921 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mt -80.19 -32.14 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 73.35 111.16 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 5.8 mt -61.38 -21.61 64.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 74.04 110.916 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -106.46 -33.96 3.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 53.0 112.482 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -174.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 73.21 110.924 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.3 p -129.8 177.74 7.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 62.44 111.155 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.46 -15.08 62.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.52 110.881 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -50.11 17.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.43 110.905 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 -84.78 -27.69 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 73.3 110.884 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tt -56.79 127.92 34.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.918 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.4 -173.69 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 75.1 111.176 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -60.2 -54.3 47.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 74.22 110.919 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -30.59 42.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 52.44 110.883 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -75.86 -30.7 58.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 70.22 110.926 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.439 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -75.82 -34.6 60.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 75.23 110.856 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -75.47 -36.3 60.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.863 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.23 -41.55 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 65.51 111.136 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 61' ' ' ARG . 4.4 pp -71.3 -33.53 69.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 75.21 110.877 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.82 -30.94 68.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 72.3 110.871 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -78.32 -44.86 24.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 72.52 110.863 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -41.26 85.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.927 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -74.11 -30.36 62.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 73.41 110.866 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.68 -41.58 98.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 72.13 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.14 -34.73 56.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.889 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -57.58 -45.67 84.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 72.04 110.87 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -36.34 34.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 72.51 110.879 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -18.47 42.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 71.44 110.881 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.5 1.17 14.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 73.3 111.117 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.6 tpp85 49.15 31.91 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.877 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.4 mttt 179.81 136.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.876 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 85.7 mtm-85 -75.35 101.54 4.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 74.25 110.878 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 mp -50.52 162.37 0.55 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.573 0.702 . . . . 73.32 110.928 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -7.22 20.52 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.712 2.275 . . . . 74.01 112.349 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.3 m -132.3 155.44 48.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 74.21 111.141 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.4 m -107.42 -23.7 12.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 74.21 111.139 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.5 mt -104.88 65.53 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 74.13 110.934 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -119.52 153.97 34.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.912 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.437 ' O ' ' HA ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -125.82 177.72 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 72.43 110.874 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.6 pt -117.13 148.05 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.31 111.13 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.49 -25.1 67.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -7.26 51.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 65.02 111.127 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -109.64 -2.02 17.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 70.54 110.871 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.8 mm -123.84 -40.9 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 75.23 111.161 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.583 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -53.55 -55.06 38.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.622 0.725 . . . . 74.13 110.841 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.9 Cg_endo -69.73 1.14 4.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.66 2.24 . . . . 73.42 112.338 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.98 -32.01 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 73.31 110.88 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.15 -104.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 74.45 110.915 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -139.94 137.13 34.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.916 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -67.05 -20.75 65.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 65.34 110.875 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.25 -3.63 28.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.834 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' A' ' 30' ' ' MET . 16.7 tp -65.06 -21.71 66.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.943 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? 65.14 164.18 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 73.42 110.907 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 71.67 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 72.14 112.37 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 p -97.74 -22.49 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 75.41 110.871 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.37 -49.54 61.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 74.25 110.887 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.33 -22.5 12.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 62.13 111.082 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.46 -20.96 18.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.889 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -90.88 -13.44 33.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 63.43 111.049 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.615 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.5 mm -45.6 -52.69 22.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 74.32 111.117 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.2 Cg_endo -69.71 -28.83 25.01 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.649 2.233 . . . . 73.51 112.399 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.6 m -77.4 -17.76 57.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.86 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -88.56 -37.0 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.876 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -82.35 -30.28 30.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 75.54 110.911 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -56.92 -21.47 30.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 72.55 110.857 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 13.1 pt -101.09 -9.79 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 74.44 111.093 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 72.03 57.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.902 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 71.5 mtt-85 -120.78 -38.33 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.882 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 pp -148.17 163.44 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 73.24 111.141 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.3 176.69 6.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.15 110.89 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.22 125.57 18.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 75.31 110.907 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -112.57 108.74 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.906 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -75.87 101.63 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.22 110.868 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 30.9 m -115.06 82.13 1.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 75.52 110.893 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 68.9 -141.2 35.82 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 53.23 112.508 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 4.22 2.33 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.662 2.241 . . . . 75.21 112.332 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.6 mt -121.28 175.6 6.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 74.23 110.868 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -153.47 125.6 7.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 75.32 111.126 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.437 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 87.5 m-85 -105.54 168.92 8.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 71.45 110.89 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -150.34 130.54 13.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 74.34 110.93 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -123.9 154.27 67.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.739 . . . . 74.31 110.953 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 81.6 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.252 . . . . 74.53 112.346 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 53.67 -179.23 0.15 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 54.32 112.531 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.5 m -95.61 -26.31 15.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 61.1 110.868 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 75.15 110.859 -179.804 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mtt . . . . . 0 CA--C 1.525 0.018 0 CA-C-O 120.81 0.338 . . . . 73.55 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -124.4 136.09 53.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 75.53 110.872 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -100.31 104.26 15.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 53.32 110.857 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -118.15 155.06 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 74.33 111.131 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.99 147.4 47.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 75.22 110.907 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.5 mp -97.06 -32.96 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 73.42 111.131 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.405 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 13.5 m -152.56 100.6 2.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.731 . . . . 74.25 111.117 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.9 Cg_endo -69.72 163.05 39.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 72.33 112.349 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -54.14 168.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.91 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.2 pt -120.86 127.41 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 63.24 111.15 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.04 -171.7 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 73.21 111.158 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.94 -20.68 54.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.838 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -74.37 -28.96 61.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.891 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -100.04 -46.32 5.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 63.35 110.893 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -55.39 -34.72 64.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 74.54 110.904 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -9.84 58.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 75.33 110.926 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.93 -2.32 36.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 72.14 111.193 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mp -113.95 130.69 23.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.593 0.711 . . . . 74.43 111.175 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.27 64.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.271 . . . . 64.42 112.343 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -23.32 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 72.45 110.884 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -63.5 -24.18 67.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 74.14 110.925 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -98.38 -37.55 9.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 75.42 110.905 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.5 mt -68.62 -48.97 62.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 70.44 110.923 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.82 -85.57 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 53.21 112.478 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -127.43 19.42 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 72.41 110.884 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.27 174.79 8.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.921 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -152.14 162.69 40.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 75.33 111.123 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.34 -41.25 60.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 70.11 110.923 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.37 -43.79 96.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 75.24 110.877 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.4 mtt -60.69 -44.23 96.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 71.13 110.91 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 34.8 mtt -74.79 -34.36 62.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 75.12 110.853 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -57.01 -41.12 77.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.894 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.403 ' HG3' HD22 ' A' ' 97' ' ' LEU . 12.7 pt-20 -81.52 -33.16 31.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 64.24 110.865 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 37.0 mt -66.24 -46.71 86.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 73.42 111.157 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.2 t -75.01 -32.38 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 73.35 111.136 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 t -68.65 -51.93 36.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 73.31 110.9 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -63.29 -47.7 81.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 75.32 110.951 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 27.5 tpp -55.6 -45.95 77.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 61.54 110.888 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -66.75 -28.74 68.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 71.43 110.883 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -63.27 -56.09 19.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 71.23 110.882 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.446 ' CG ' ' CE2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -62.35 -43.22 99.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 74.55 110.88 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -27.78 67.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 75.22 110.944 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 57.6 ttp -71.04 -37.87 72.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 75.32 110.916 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -71.64 -38.98 70.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 75.45 110.908 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -64.16 -51.87 61.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 75.52 110.894 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.0 p -61.14 -29.0 69.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 61.12 110.84 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -29.85 63.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 71.32 110.886 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.9 mt -77.61 -32.2 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 72.31 111.12 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.54 -20.95 66.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 72.43 110.922 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -104.23 -37.26 2.92 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 61.11 112.475 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -62.13 171.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 75.23 110.894 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.15 170.64 7.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 64.31 111.151 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -58.9 -24.06 61.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 74.53 110.858 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -69.24 -39.44 78.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 64.02 110.944 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -82.41 -32.1 29.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 74.3 110.928 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.81 130.06 24.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.948 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.75 -175.29 2.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 75.41 111.121 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -54.29 -54.87 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 72.32 110.905 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 m -53.83 -33.61 56.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 74.13 110.83 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -74.01 -31.79 63.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.852 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -76.12 -41.06 51.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 74.12 110.894 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.95 -37.5 84.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.25 110.867 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -72.87 -39.02 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 74.5 111.136 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.22 -45.3 93.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 72.31 110.918 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -36.11 81.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 72.31 110.85 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -71.38 -49.38 42.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 72.45 110.862 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -41.61 71.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.921 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -25.27 61.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 75.13 110.82 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.92 -35.81 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 65.11 110.893 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.2 mt -76.16 -37.63 57.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 73.32 110.956 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -69.9 -29.34 66.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 70.02 110.904 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.3 ptm -89.18 -16.81 30.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 74.41 110.853 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -96.57 -7.94 33.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.906 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.54 -0.19 14.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 74.51 111.147 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 49.53 27.56 2.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.876 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -179.44 121.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 75.24 110.893 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -62.06 97.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.897 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 mp -49.8 154.8 1.66 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.648 0.737 . . . . 72.22 110.885 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -7.7 21.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.253 . . . . 73.11 112.363 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.7 t -126.8 159.15 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.35 111.169 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.6 m -114.12 -23.49 9.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 73.21 111.162 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -102.92 67.46 0.96 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.894 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -122.46 154.75 37.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.861 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -128.38 175.61 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 72.11 110.888 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 14.6 pt -113.53 152.32 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 75.44 111.165 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -76.02 -23.43 55.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 75.45 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.13 -5.4 38.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.22 111.118 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -112.9 -2.53 14.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.868 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 43.9 mt -125.71 -39.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 71.24 111.149 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.574 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -49.7 -54.8 27.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.72 . . . . 71.11 110.867 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.8 0.02 6.28 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.717 2.278 . . . . 73.03 112.337 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.76 -29.84 11.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.897 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.422 ' HB3' HD21 ' A' ' 97' ' ' LEU . 25.8 mt -57.55 -101.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 75.21 110.898 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.515 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.9 tt0 -142.92 144.8 32.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 74.11 110.871 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -67.64 -39.94 84.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.883 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.09 18.03 4.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 73.51 110.892 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 94' ' ' GLN . 13.2 tp -79.15 -24.49 43.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.03 110.871 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 64.34 164.71 0.12 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.665 0.745 . . . . 74.52 110.821 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 67.36 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.651 2.234 . . . . 75.43 112.379 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.21 -27.15 13.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 74.51 110.891 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.27 -54.07 23.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 74.14 110.866 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.31 -22.69 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 63.24 111.059 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -95.8 -18.95 20.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 72.34 110.883 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -90.03 -20.91 22.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 73.24 111.072 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.62 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.8 mm -46.6 -52.8 28.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.637 0.732 . . . . 74.24 111.162 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.62 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.71 -19.39 36.4 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.738 2.292 . . . . 74.25 112.329 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 34.0 m -83.24 -33.88 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 54.11 110.919 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.402 ' O ' HG12 ' A' ' 111' ' ' ILE . 3.2 mt -70.73 -53.88 13.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.932 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -60.61 -31.0 70.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.82 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -59.05 -20.59 54.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.87 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 108' ' ' LEU . 0.2 OUTLIER -101.46 -3.47 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 73.45 111.133 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 68.26 49.52 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 74.52 110.88 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -109.76 -40.62 4.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.35 110.831 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 pp -148.47 -177.78 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 70.31 111.164 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.32 171.12 14.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.883 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.96 130.18 29.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 64.41 110.932 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.22 105.67 14.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 72.32 110.908 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -75.3 103.32 5.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 65.44 110.831 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 35.0 m -117.8 81.96 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.9 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 70.6 -140.88 32.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 72.31 112.467 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 2.23 3.7 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.663 2.242 . . . . 64.24 112.334 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 34.6 mt -117.68 170.89 8.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 75.24 110.904 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.23 120.14 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 61.2 111.131 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.452 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 96.3 m-85 -100.57 172.61 7.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 71.35 110.868 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -152.65 127.91 9.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.495 . . . . 73.32 110.955 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -126.06 155.83 72.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 73.54 110.949 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.669 ' O ' ' C ' ' A' ' 128' ' ' GLY . 53.9 Cg_endo -69.76 112.24 3.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.266 . . . . 74.35 112.32 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.669 ' C ' ' O ' ' A' ' 127' ' ' PRO . . . -5.96 97.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 75.42 112.513 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 51.9 p -50.57 162.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 41.22 110.894 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 72.2 110.823 -179.824 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.807 0.337 . . . . 64.15 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -147.5 135.11 20.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 74.55 110.91 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -54.85 145.52 19.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.869 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -119.3 156.22 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 75.43 111.085 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.33 145.51 43.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 75.03 110.915 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.0 mp -92.8 -36.63 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 72.14 111.148 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.9 m -154.47 99.52 2.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 74.3 111.113 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 173.92 10.34 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 75.1 112.343 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -51.59 156.24 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 73.24 110.938 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -119.21 112.02 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 73.45 111.133 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.48 -171.69 1.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 62.35 111.161 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -23.26 62.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 74.15 110.866 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -53.02 -30.47 35.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.35 110.884 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -102.06 -42.25 6.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 72.21 110.883 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -61.97 -23.68 66.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 75.22 110.85 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -72.94 -28.06 62.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.868 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.82 -3.39 41.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 71.35 111.124 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -127.1 88.62 53.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.728 . . . . 74.3 111.133 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -175.76 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.715 2.277 . . . . 75.12 112.335 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -55.22 -23.5 22.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 74.35 110.888 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -68.72 -16.44 63.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 63.44 110.931 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -112.56 -41.12 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 75.3 110.9 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mt -79.98 -48.28 13.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 75.03 110.904 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.48 -60.82 4.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 53.13 112.516 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -148.62 15.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 74.51 110.915 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.42 175.35 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 71.23 110.924 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.12 163.35 37.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 75.3 111.125 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.03 -42.37 49.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 75.54 110.9 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -41.47 93.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 71.33 110.889 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 17.4 mmt -63.27 -41.66 99.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 72.33 110.871 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 87.6 mtp -75.17 -37.55 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 73.41 110.915 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -57.04 -42.07 79.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 74.42 110.911 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -79.26 -27.54 42.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.886 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.8 mt -73.97 -45.46 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 73.11 111.155 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.8 t -73.77 -28.28 24.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 74.01 111.087 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -73.94 -42.83 59.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 65.11 110.863 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -68.48 -49.14 61.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 73.03 110.905 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.3 ptp -58.58 -38.92 78.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 72.32 110.914 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -68.39 -29.78 68.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 70.43 110.903 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.37 -51.87 46.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.917 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -61.94 -46.05 91.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.846 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.82 -35.31 80.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.882 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 51.4 ttp -62.76 -39.45 94.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 71.41 110.862 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -70.37 -35.26 73.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.891 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -62.55 -53.96 46.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.87 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -62.67 -26.31 68.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 73.55 110.827 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -29.07 62.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.42 110.893 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.9 mt -80.02 -32.64 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 74.34 111.126 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.04 -19.54 63.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 75.13 110.905 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.4 -26.03 5.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 65.0 112.467 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -174.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 74.4 110.921 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.0 p -133.89 173.55 11.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 75.43 111.194 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -56.0 -24.78 41.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 75.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -66.31 -38.13 87.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 75.3 110.886 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -90.78 -33.99 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 72.12 110.914 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tt -50.11 128.84 19.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.02 110.925 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.7 p -124.96 -172.86 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 72.54 111.181 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -52.78 -53.31 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 75.31 110.828 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -56.1 -29.62 60.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 71.22 110.898 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -74.59 -33.35 62.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 71.12 110.837 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.92 -36.55 59.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 74.51 110.887 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.88 -36.59 72.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 71.34 110.856 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.6 m -73.79 -39.55 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.088 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.72 -44.95 88.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 75.11 110.909 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.49 -35.12 79.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.867 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -74.73 -43.15 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 75.45 110.851 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -58.44 -41.37 84.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.978 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -76.25 -24.35 54.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 71.44 110.884 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -42.01 60.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.896 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.6 pp -73.76 -41.3 62.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 73.14 110.889 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -65.58 -31.51 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 72.25 110.896 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.7 ptp -88.73 -22.59 23.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.892 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.51 -22.52 57.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 72.51 110.919 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.12 -0.35 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 62.32 111.123 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 43.24 37.01 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 71.42 110.845 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -158.42 132.2 7.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.84 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.2 91.97 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 75.54 110.859 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 mp -59.37 160.37 13.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 75.31 110.91 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.38 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 72.42 112.382 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.58 159.73 16.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 73.15 111.112 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.1 m -118.82 -8.56 10.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 64.31 111.133 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 mt -103.59 74.49 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 75.1 110.936 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.89 -175.4 3.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 75.35 110.901 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.468 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 2.2 p90 -152.25 171.83 17.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.879 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.7 pt -108.07 143.42 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 75.43 111.095 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.97 -25.55 58.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.923 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.39 -8.29 55.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 75.21 111.137 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -112.44 -2.83 14.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.883 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.409 HG13 ' CE1' ' A' ' 84' ' ' PHE . 40.8 mm -123.2 -8.0 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 74.41 111.142 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.527 ' C ' ' H ' ' A' ' 92' ' ' MET . 17.1 ttt-85 -86.52 -60.81 0.26 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.605 0.717 . . . . 74.42 110.873 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.81 22.64 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.648 2.232 . . . . 72.41 112.331 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' MET . . . . . 0.527 ' H ' ' C ' ' A' ' 90' ' ' ARG . 12.1 ptm -122.68 -26.56 4.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 75.54 110.872 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.0 -129.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 70.15 110.914 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.446 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 23.7 mp0 -114.39 157.21 23.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 70.35 110.917 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -77.74 -20.81 52.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 75.01 110.846 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.89 -8.67 23.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 73.12 110.872 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.446 ' HB2' ' HB2' ' A' ' 94' ' ' GLN . 22.6 tp -65.49 -31.06 71.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 74.12 110.887 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 61.7 162.5 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 75.23 110.852 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 70.76 1.56 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.703 2.269 . . . . 75.43 112.322 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 m -94.31 -15.99 23.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 74.04 110.826 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.19 -53.52 34.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 73.2 110.892 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.05 -23.78 8.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 74.14 111.081 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -94.19 -22.95 18.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 75.42 110.928 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.77 -9.14 44.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 70.34 111.105 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.632 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.0 mm -49.14 -50.93 60.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.634 0.731 . . . . 75.05 111.129 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.73 -33.27 17.03 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.728 2.286 . . . . 65.31 112.332 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.0 -8.47 58.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 71.11 110.861 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -101.2 -27.95 12.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.914 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -91.36 -32.12 15.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 75.32 110.876 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -56.87 -21.27 28.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.854 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 20.7 pt -96.61 -11.4 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 73.42 111.131 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.4 53.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 75.44 110.901 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -117.52 -28.91 5.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.875 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 pp -147.67 179.01 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.01 111.177 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -141.36 169.77 16.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 73.51 110.913 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.71 129.21 16.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.53 110.93 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -114.86 106.62 14.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 71.23 110.888 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.88 101.9 10.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.876 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 4.2 m -125.69 97.15 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 75.14 110.936 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.44 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 57.33 -149.64 31.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 74.3 112.486 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 41.58 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.707 2.271 . . . . 73.15 112.33 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' A' ' 120' ' ' GLY . 62.2 mt -150.29 167.53 26.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 71.2 110.887 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.76 111.56 4.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 74.3 111.14 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -95.71 162.89 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 74.43 110.92 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -150.55 118.27 6.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 73.22 110.871 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.05 157.98 59.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.688 0.756 . . . . 73.43 110.902 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 97.7 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 73.01 112.351 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 51.1 -149.99 6.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 73.05 112.545 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.3 t -124.9 -41.31 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 74.23 110.867 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.2 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 73.43 110.811 -179.801 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.804 0.335 . . . . 65.43 110.947 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -76.95 -30.02 55.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 73.23 110.883 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -79.76 98.7 7.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 65.05 110.854 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -118.76 159.3 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.03 111.158 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptp85 -71.06 177.47 3.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.858 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.35 -17.12 5.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 71.33 111.163 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.6 m -153.53 106.14 2.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.678 0.751 . . . . 71.54 111.144 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 179.6 3.58 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.625 2.217 . . . . 71.23 112.381 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.86 164.36 26.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 71.44 110.878 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.401 ' HB ' ' HB2' ' A' ' 14' ' ' GLU . 13.0 pt -118.24 126.76 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 74.32 111.151 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.61 -170.82 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.23 111.127 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.39 -21.64 37.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.858 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -70.36 -29.37 66.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 74.04 110.933 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 14.6 mm-40 -101.88 -46.0 5.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 74.2 110.888 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -55.42 -34.27 64.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 74.42 110.845 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -21.66 49.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.864 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 p -76.72 -10.3 59.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 72.53 111.15 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.5 mt -113.7 100.02 51.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 73.22 111.128 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 167.14 25.32 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.708 2.272 . . . . 75.12 112.371 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -56.53 -20.27 19.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.87 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -61.6 -17.51 55.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 70.21 110.925 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -117.25 -36.89 3.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.12 110.903 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.73 -49.35 59.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.887 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.25 -80.38 0.62 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.752 -0.737 . . . . 52.41 112.499 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.9 mtm-85 -128.56 11.19 6.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 74.23 110.891 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.77 -179.54 5.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.952 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.8 p -157.61 167.61 29.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 74.42 111.128 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.14 -42.14 50.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 72.2 110.93 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.72 -42.68 97.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 71.31 110.859 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.6 mtt -63.49 -39.93 95.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 63.33 110.883 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.9 mtp -74.2 -39.11 63.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.14 110.901 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.44 -43.9 84.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 74.3 110.907 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -75.24 -27.38 59.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.881 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.5 mt -72.88 -50.47 32.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 75.14 111.091 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.8 t -67.5 -27.84 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 72.31 111.13 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.07 -45.56 56.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.808 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -44.77 69.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 73.41 110.899 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 39.0 mtm -58.14 -52.61 64.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 74.03 110.861 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -32.4 73.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 64.33 110.863 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.95 -52.02 67.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 63.44 110.886 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.73 -49.84 71.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 73.12 110.883 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -32.05 72.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 74.32 110.89 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 45.6 ttp -66.89 -37.63 84.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 75.23 110.884 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.7 -36.12 75.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 73.33 110.89 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -65.07 -54.19 33.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 75.45 110.845 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.7 p -60.5 -27.35 67.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 74.14 110.825 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -29.04 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.894 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.2 mt -80.24 -31.54 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 75.34 111.125 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 mt -63.21 -22.53 66.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 75.53 110.954 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -102.07 -37.47 3.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 44.21 112.479 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.67 165.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 72.41 110.923 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.4 168.98 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 61.13 111.133 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -65.56 -20.53 66.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 75.12 110.897 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -75.01 -41.47 59.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 75.53 110.906 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -85.53 -32.2 22.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 75.14 110.901 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.86 139.98 31.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 74.25 110.925 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.4 p -115.62 -174.05 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 73.33 111.149 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -64.95 -37.51 87.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 73.33 110.894 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.3 m -57.57 -36.81 72.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.888 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -72.26 -32.28 66.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 74.24 110.843 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.6 -38.92 47.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 75.35 110.886 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -67.11 -37.6 84.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.846 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.3 m -73.87 -40.65 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 74.22 111.175 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.17 -43.57 95.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 73.32 110.913 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -35.42 74.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.899 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -72.74 -40.92 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.898 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -65.26 -36.44 84.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 75.3 110.904 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -25.84 57.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 73.22 110.856 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -40.55 62.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.86 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.5 pp -75.28 -31.94 60.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 72.15 110.899 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -72.27 -32.88 67.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 75.33 110.861 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.9 ptp -89.25 -13.07 38.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.852 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -91.26 -19.0 23.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 73.3 110.905 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.49 -2.73 23.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 53.11 111.088 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 45.87 56.66 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.902 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -159.83 150.19 18.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 74.14 110.927 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -93.76 97.27 10.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 75.34 110.849 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.7 mp -95.83 107.77 36.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 73.31 110.945 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 57.73 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.722 2.281 . . . . 73.23 112.374 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.95 155.41 13.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 53.25 111.135 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.6 m -134.44 29.06 3.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 73.5 111.09 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.0 mt -139.2 57.77 1.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 74.05 110.916 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -133.01 175.03 9.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 74.43 110.862 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 4.4 p90 -144.47 167.93 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 75.54 110.872 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.1 pt -104.84 144.38 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 73.52 111.147 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.78 -25.5 55.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.876 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -7.47 54.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.51 111.161 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.49 -30.43 12.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.833 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.479 HG13 ' CE1' ' A' ' 84' ' ' PHE . 12.4 mm -99.09 -26.19 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 74.32 111.182 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.512 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 1.1 ttp180 -49.21 -58.16 9.6 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.572 0.701 . . . . 72.23 110.871 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.76 4.33 2.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.653 2.235 . . . . 72.51 112.339 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.2 -36.13 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 73.54 110.853 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.93 -115.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 74.23 110.912 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -142.86 149.57 38.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.925 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.21 -54.89 29.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 71.45 110.889 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -72.3 -8.25 53.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 65.31 110.802 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.1 tp -94.65 -15.75 23.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 73.41 110.918 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.5 ' N ' ' HD2' ' A' ' 99' ' ' PRO . 8.3 mtp180 -51.02 -58.91 8.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 72.11 110.868 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 98' ' ' ARG . 53.2 Cg_endo -69.81 -5.22 15.71 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.648 2.232 . . . . 75.25 112.301 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.02 -17.16 29.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 65.53 110.829 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -54.92 27.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.883 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.54 -23.79 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.094 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -94.14 -22.33 18.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.04 110.911 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.21 -21.44 29.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 71.33 111.115 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.623 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.1 mm -47.94 -51.87 44.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 74.13 111.14 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.623 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.73 -29.74 23.55 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.713 2.275 . . . . 75.23 112.347 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 20.9 m -76.73 -15.25 59.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 63.13 110.884 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -93.78 -37.78 11.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 75.42 110.909 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 32.4 ptt85 -82.32 -28.59 31.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 74.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -56.41 -21.56 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 70.31 110.873 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 11.5 pt -103.56 -7.18 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 74.12 111.111 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 69.76 55.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.823 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -117.2 -29.6 5.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 72.34 110.861 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.6 pp -148.79 -179.19 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 73.31 111.078 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -140.67 173.38 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 74.55 110.835 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -149.12 126.73 11.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.866 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -112.67 103.96 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 74.25 110.901 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.86 101.79 3.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 75.34 110.903 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 11.4 m -119.26 81.67 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.877 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 68.72 -141.48 36.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 71.21 112.49 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 2.97 3.0 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 72.03 112.39 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 62.5 mt -115.84 170.3 8.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 73.15 110.897 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.2 m -156.6 116.26 3.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 73.24 111.124 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -95.43 168.42 10.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 75.45 110.917 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -152.48 118.13 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.937 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.3 149.56 49.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.703 0.763 . . . . 73.32 110.902 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 91.27 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 63.45 112.323 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 45.86 83.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 73.41 112.49 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -66.14 0.44 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.863 0.363 . . . . 62.44 110.858 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 71.34 110.872 -179.828 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.78 0.324 . . . . 74.34 110.849 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -103.29 146.89 27.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 73.52 110.899 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.84 111.16 21.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 74.41 110.88 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -118.87 155.56 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 72.41 111.143 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.59 159.53 1.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 75.45 110.868 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.79 -25.15 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 74.05 111.145 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.3 m -153.54 99.03 2.65 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 63.01 111.149 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 171.24 14.76 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.646 2.23 . . . . 75.32 112.4 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -67.01 163.53 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 62.33 110.934 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.87 115.12 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 74.43 111.106 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.18 -172.33 3.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 60.14 111.192 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -26.69 49.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.874 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -60.74 -29.14 69.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 75.34 110.852 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -108.11 -39.54 5.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.883 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -55.37 -37.35 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 75.04 110.873 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.29 -0.7 57.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.905 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.43 HG23 HD11 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -78.87 -3.82 46.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 74.3 111.129 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.43 HD11 HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -115.91 150.16 44.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 64.24 111.131 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.87 67.46 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.717 2.278 . . . . 74.33 112.341 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -64.64 -22.65 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.25 110.92 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -62.56 -16.52 56.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 72.21 110.934 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -106.94 -31.0 8.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 75.41 110.929 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.5 mt -61.19 -57.73 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 74.41 110.92 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.51 69.29 1.32 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.686 -0.769 . . . . 72.41 112.516 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 67.17 12.63 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 72.23 110.898 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mt -71.94 156.92 38.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 74.14 110.909 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.06 153.04 48.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 74.44 111.143 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.91 -40.58 43.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 73.15 110.895 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.41 -37.84 82.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.867 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 50.9 mtt -66.91 -45.58 77.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 75.25 110.893 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 89.8 mtp -75.33 -29.6 60.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 75.45 110.846 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -64.61 -41.62 96.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 74.35 110.933 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -79.81 -29.28 40.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 72.14 110.916 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.7 mt -70.45 -48.19 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 72.52 111.167 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.3 t -73.01 -31.24 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 74.51 111.17 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -69.27 -50.75 43.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 62.32 110.88 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -62.44 -52.98 61.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 75.33 110.854 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.413 ' HG2' ' CZ ' ' A' ' 84' ' ' PHE . 19.3 mtp -51.58 -45.95 63.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.25 110.882 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -62.62 -32.1 73.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 73.41 110.904 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.69 -46.91 83.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 64.43 110.872 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -64.13 -53.26 52.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 72.12 110.878 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.48 -34.19 76.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 64.02 110.915 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 11.1 tpt -62.51 -39.49 93.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 75.04 110.89 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -69.55 -35.1 75.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 74.35 110.888 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 29.6 tptt -62.36 -54.7 36.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 71.04 110.873 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -63.26 -24.38 67.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 53.14 110.862 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -29.4 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 73.02 110.88 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -82.51 -32.31 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 74.33 111.096 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 5.3 mt -63.41 -18.5 63.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 65.21 110.907 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -109.75 -34.0 2.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 50.45 112.447 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -51.98 171.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.355 . . . . 70.24 110.904 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 p -122.95 -175.34 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 55.04 111.141 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -69.5 -10.99 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 74.24 110.893 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -80.33 -44.79 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.914 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -92.13 -24.51 19.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 74.14 110.876 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.7 tt -54.02 122.6 10.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 71.45 110.907 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.6 p -128.13 -174.18 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 75.42 111.177 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -51.78 -45.93 63.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.427 . . . . 73.13 110.903 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -51.42 -33.7 31.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.868 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -75.51 -34.33 60.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 75.42 110.882 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.04 -38.94 66.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.21 110.866 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.8 pt-20 -69.16 -40.91 77.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.4 110.85 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.1 m -70.41 -38.05 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.32 111.093 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -63.53 -43.89 95.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.944 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -45.29 83.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 71.43 110.84 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -65.11 -45.33 85.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 65.43 110.908 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -55.16 -50.09 70.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 64.55 110.923 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -64.03 -22.51 66.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 74.1 110.877 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -34.49 63.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.912 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.99 -45.26 35.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 75.01 110.932 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -66.16 -28.48 68.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 72.15 110.873 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.3 ptm -88.17 -17.61 30.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 72.03 110.852 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.22 -16.14 36.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.877 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.36 1.4 9.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 70.01 111.125 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 51.09 31.14 6.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 75.45 110.859 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -175.45 170.57 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 75.25 110.918 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 52.6 mmt-85 -110.55 90.8 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 74.33 110.908 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.9 mp -52.3 161.48 1.03 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 75.44 110.914 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -31.3 21.01 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.743 2.296 . . . . 74.15 112.334 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.5 t -106.42 142.51 35.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.54 111.142 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 m -105.48 22.48 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 72.42 111.151 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.9 mt -131.02 61.42 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.944 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -127.31 162.93 25.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 75.33 110.853 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 84' ' ' PHE . 6.4 p90 -139.35 174.63 10.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 64.32 110.905 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.0 pt -106.49 144.8 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 74.34 111.148 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.6 -26.96 62.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 75.23 110.931 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -6.91 52.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 74.55 111.161 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -97.94 -21.9 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 72.33 110.876 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.422 HG13 ' CE1' ' A' ' 84' ' ' PHE . 10.3 mm -107.77 -34.87 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.44 111.129 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.521 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 11.6 ttm180 -48.91 -58.37 8.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 74.34 110.879 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.0 Cg_endo -69.73 5.4 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 72.44 112.38 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.29 -27.85 9.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 72.41 110.853 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.83 -113.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 74.35 110.959 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.52 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.3 tt0 -139.94 142.96 36.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.44 110.909 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -65.8 -40.11 91.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 70.24 110.841 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -89.64 21.93 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 75.11 110.841 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 94' ' ' GLN . 11.0 tp -82.74 -19.7 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.907 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.518 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 2.9 mmt180 64.36 160.48 0.12 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.566 0.698 . . . . 73.05 110.904 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.518 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.6 Cg_endo -69.74 70.86 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.263 . . . . 72.22 112.353 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.6 p -98.13 -20.78 17.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 74.15 110.864 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -49.85 -53.0 28.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 73.21 110.895 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.17 -21.96 15.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.13 111.096 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -96.83 -20.57 18.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.906 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.05 -19.81 29.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 60.55 111.124 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.634 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 12.8 mm -47.8 -51.76 43.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.66 0.743 . . . . 55.45 111.149 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.2 Cg_endo -69.76 -34.6 14.25 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 74.53 112.373 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 6.1 m -75.39 -13.94 60.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.898 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -95.26 -32.18 13.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.905 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.2 ptt85 -87.55 -30.83 20.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 74.14 110.867 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -56.35 -23.95 40.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 71.34 110.846 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -101.36 -5.07 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 74.41 111.127 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 67.05 57.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.842 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.8 tpp85 -116.54 -31.0 5.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.898 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 pp -149.53 -178.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 73.42 111.132 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -144.83 174.76 10.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.897 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.429 ' HB3' ' CD2' ' A' ' 125' ' ' TYR . 0.0 OUTLIER -145.79 125.94 13.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 71.31 110.91 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -113.2 108.99 18.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 73.23 110.913 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.37 102.16 4.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.14 110.878 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 25.7 m -115.42 81.15 1.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 73.3 110.877 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 69.28 -141.43 35.61 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.679 -0.772 . . . . 64.03 112.509 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 4.87 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 73.05 112.354 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.3 mt -119.63 174.3 6.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.9 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.9 m -155.43 116.57 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 75.13 111.166 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 67.4 m-85 -96.84 169.21 10.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 71.45 110.888 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.429 ' CD2' ' HB3' ' A' ' 116' ' ' GLU . 16.2 m-85 -150.75 125.22 9.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.51 110.891 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -125.55 147.98 60.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.731 . . . . 75.31 110.924 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 90.23 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.235 . . . . 74.23 112.372 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 46.35 82.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 72.22 112.469 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.26 -34.98 59.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 74.31 110.835 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 73.12 110.893 -179.83 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.815 0.341 . . . . 64.22 110.853 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -89.24 163.37 15.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 73.3 110.877 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.33 174.69 9.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 75.02 110.869 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -118.94 154.63 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 74.34 111.107 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.67 143.98 34.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 71.42 110.904 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mp -90.58 -38.38 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 74.54 111.111 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 m -155.25 98.35 2.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.739 . . . . 75.11 111.176 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 170.54 16.3 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.697 2.265 . . . . 74.52 112.324 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -53.68 174.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 73.33 110.945 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.6 pt -123.1 126.04 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.13 111.123 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.78 175.73 9.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 75.31 111.13 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.429 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -57.05 -32.95 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.22 110.87 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.6 -27.58 64.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.31 110.899 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -91.42 -20.71 21.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 74.34 110.869 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -94.23 -28.25 15.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 74.01 110.904 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -82.06 3.56 26.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 73.33 110.883 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 t -78.91 -17.52 55.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 74.13 111.152 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.01 136.02 20.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.634 0.731 . . . . 73.11 111.127 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 159.31 53.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 64.42 112.372 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -61.2 -21.08 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 75.21 110.919 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -62.87 -16.95 60.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 74.03 110.912 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -109.08 -33.51 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 72.21 110.917 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.3 mt -60.94 -60.58 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 72.22 110.944 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.68 77.83 0.21 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 64.45 112.45 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 65.66 13.9 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 72.5 110.915 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 mt -88.16 152.13 22.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.897 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.3 m -138.35 158.2 44.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.46 . . . . 73.43 111.093 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -49.28 -43.9 43.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 73.04 110.911 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.22 -39.83 80.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 74.45 110.89 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.9 mmt -62.38 -47.57 83.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 64.43 110.897 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.7 mtt -73.81 -32.74 63.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 74.25 110.885 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -58.46 -43.34 88.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.895 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -79.03 -28.82 43.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 74.4 110.888 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.2 mt -71.33 -45.36 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 70.22 111.126 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.3 t -74.03 -28.68 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 74.14 111.092 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -73.71 -44.27 56.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 52.32 110.875 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -68.28 -48.68 64.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 73.13 110.866 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.6 ptp -57.79 -39.42 77.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 71.42 110.883 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -68.77 -30.37 68.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 62.41 110.83 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.52 -56.77 10.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 64.25 110.873 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -59.05 -47.51 84.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.881 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -37.49 87.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 73.03 110.935 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 12.2 tpt -60.8 -37.24 81.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 73.31 110.82 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.88 -37.81 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 74.24 110.88 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -60.94 -53.72 53.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 75.42 110.885 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.6 p -61.76 -29.13 69.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 74.52 110.88 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -28.76 63.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 74.5 110.881 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.5 mt -79.55 -32.24 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 73.22 111.156 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.9 mt -63.9 -19.61 65.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 74.24 110.921 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -102.28 -34.79 4.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 71.4 112.463 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -53.23 172.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 75.44 110.869 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.1 p -120.91 179.06 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 54.45 111.083 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.44 -20.53 66.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.894 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -70.98 -42.69 69.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 72.11 110.921 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -87.79 -33.45 18.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.04 110.932 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 tt -49.91 125.89 12.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 71.42 110.952 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.31 -173.3 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 72.33 111.194 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.4 tpp85 -50.08 -50.82 46.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 75.44 110.908 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 m -53.6 -33.54 55.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 65.12 110.84 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -75.87 -33.78 59.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 60.33 110.862 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -38.35 59.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.23 110.884 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -69.31 -40.32 77.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 73.14 110.83 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 28.3 m -69.75 -39.57 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 72.25 111.163 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -43.35 88.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 75.33 110.892 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -36.17 83.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 62.11 110.879 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -74.48 -47.19 34.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 65.21 110.869 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -53.34 -48.37 68.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 73.02 110.891 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -73.39 -22.6 60.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 74.41 110.84 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -73.11 -43.09 62.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 71.3 110.897 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.9 pp -74.73 -31.42 61.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 74.44 110.889 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -72.57 -28.58 62.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 75.42 110.888 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -89.63 -25.86 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.89 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -81.8 -15.75 53.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 73.34 110.915 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.28 -0.15 11.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 71.05 111.137 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 48.54 49.63 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.1 tptp 179.41 122.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 73.02 110.875 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -78.9 90.18 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.873 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.92 153.45 54.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.583 0.706 . . . . 72.54 110.914 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -49.26 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 73.23 112.327 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.07 155.31 30.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 62.02 111.163 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.1 m -121.4 -4.17 9.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 74.21 111.181 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.8 mt -108.15 66.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.958 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.03 -174.28 3.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 74.4 110.863 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.469 ' CE1' HG13 ' A' ' 89' ' ' ILE . 2.3 p90 -152.06 164.01 38.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 75.01 110.873 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.9 pt -100.5 144.35 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 64.31 111.164 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -23.36 46.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.3 110.904 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -9.02 58.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 75.32 111.145 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -105.67 -17.36 14.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.852 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.469 HG13 ' CE1' ' A' ' 84' ' ' PHE . 22.1 mm -106.47 -31.83 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 72.44 111.14 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.487 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 3.9 ttp85 -49.98 -59.47 6.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 70.21 110.851 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.75 5.39 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.707 2.271 . . . . 71.5 112.355 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -104.49 -34.82 8.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.885 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.11 -116.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 71.43 110.902 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.82 140.83 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 61.22 110.907 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -68.39 -24.23 64.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.917 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -101.01 0.17 37.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 72.4 110.863 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.4 tp -63.87 -18.81 64.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 73.44 110.939 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 61.69 163.8 0.11 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 74.34 110.88 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 68.53 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.722 2.281 . . . . 72.13 112.358 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 m -98.23 -25.85 14.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 70.11 110.924 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.56 -50.92 59.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 74.23 110.846 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.27 -22.62 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 74.52 111.079 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -95.15 -22.34 17.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.915 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.96 -18.19 31.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 64.53 111.057 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.634 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 12.6 mm -47.65 -51.49 44.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.636 0.731 . . . . 71.41 111.141 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.76 -32.14 19.16 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 73.43 112.382 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.2 m -74.34 -18.79 60.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 71.12 110.882 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.86 -38.66 12.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.31 110.935 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -80.09 -31.59 39.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.861 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -55.86 -21.82 21.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 75.41 110.849 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 12.3 pt -104.78 -8.73 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 75.13 111.144 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 71.09 54.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -112.87 -29.68 7.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 75.2 110.907 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.7 pp -150.6 -179.17 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.33 111.137 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -139.11 171.1 14.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 64.52 110.925 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -149.03 128.94 13.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.912 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -116.9 105.34 12.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 73.04 110.879 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.66 104.3 3.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 72.05 110.87 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 10.4 m -120.77 82.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 73.33 110.901 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.37 -140.1 36.72 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.736 . . . . 74.14 112.496 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 1.5 4.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.724 2.283 . . . . 71.44 112.352 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.9 mt -118.12 174.33 6.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.93 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 8.8 m -155.57 123.25 5.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 74.11 111.156 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -94.77 163.11 13.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 72.32 110.881 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -150.59 117.59 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 65.14 110.924 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.81 158.62 61.94 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.684 0.754 . . . . 73.24 110.906 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 98.77 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.687 2.258 . . . . 74.35 112.322 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 48.73 -156.94 1.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 60.31 112.509 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.9 p -127.3 156.16 42.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.37 . . . . 64.44 110.838 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 73.25 110.87 -179.841 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mpp? . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.767 0.318 . . . . 74.5 110.835 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -53.72 144.4 18.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 71.2 110.889 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.85 151.77 38.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 72.34 110.877 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.89 165.77 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 73.43 111.114 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.09 145.39 55.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.856 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.2 mp -96.84 -36.31 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 75.43 111.101 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.4 m -155.77 98.9 2.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 73.34 111.139 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 171.15 14.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 73.44 112.386 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -58.54 155.75 11.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 71.23 110.934 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.4 pt -117.53 114.74 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 72.23 111.154 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.41 -170.51 2.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 62.41 111.159 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -55.39 -23.3 23.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 72.25 110.877 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.64 -30.03 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.884 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -104.67 -43.01 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 74.23 110.852 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -57.85 -24.93 59.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.34 110.892 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -12.72 60.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 65.33 110.893 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.459 ' OG1' HD12 ' A' ' 18' ' ' ILE . 18.7 p -78.03 -15.42 58.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 51.51 111.088 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.459 HD12 ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -122.54 94.58 47.56 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.631 0.729 . . . . 70.44 111.11 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 178.77 4.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.721 2.281 . . . . 75.21 112.387 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -53.14 -25.92 15.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 75.21 110.903 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -62.46 -22.84 66.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 74.13 110.956 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -109.28 -42.98 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 75.01 110.923 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.6 mt -68.54 -54.3 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 72.02 110.927 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.53 -55.35 4.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.789 -0.719 . . . . 74.43 112.461 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -155.06 21.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 75.13 110.852 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.52 165.79 11.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.938 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.82 165.85 26.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 71.02 111.126 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.32 -41.0 65.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.942 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.89 -39.88 90.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 75.41 110.856 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.9 mmt -66.07 -43.89 86.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 74.41 110.881 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 93.0 mtp -75.82 -30.79 59.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.52 110.904 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -64.08 -40.13 95.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 72.14 110.927 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -80.97 -30.02 35.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 73.23 110.905 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 41.8 mt -70.29 -48.61 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 74.33 111.147 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.08 -29.44 28.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 74.54 111.172 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -67.97 -52.04 40.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 75.03 110.901 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -64.29 -49.05 73.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 75.32 110.899 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -43.53 63.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 73.11 110.885 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -67.3 -30.4 70.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 74.13 110.867 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -62.28 -58.58 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 75.54 110.847 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -45.52 92.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 74.4 110.871 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -29.19 70.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 74.52 110.929 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 6.0 tpt -68.04 -39.89 82.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.894 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.0 ptmt -71.45 -35.48 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 75.43 110.914 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -64.22 -53.67 45.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 75.33 110.888 179.862 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -62.63 -25.85 68.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 70.24 110.849 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -27.99 61.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 74.55 110.944 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.9 mt -81.85 -31.95 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.44 111.144 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 6.7 mt -69.67 -11.03 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 70.02 110.92 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.08 33.17 2.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 64.52 112.463 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -119.18 -175.32 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.389 . . . . 72.41 110.846 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -127.18 171.09 11.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 72.12 111.12 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -66.15 -12.9 58.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 70.04 110.891 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.1 mttm -68.15 -54.12 20.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.881 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -84.34 -30.15 25.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 75.4 110.887 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.0 tt -47.3 119.68 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.93 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.7 p -115.93 -172.93 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 75.31 111.143 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -59.01 -45.3 91.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 73.51 110.899 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.32 -31.48 21.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 71.54 110.868 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -73.75 -34.2 64.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 74.04 110.835 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -36.3 67.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 74.11 110.819 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 63' ' ' VAL . 0.4 OUTLIER -70.7 -37.99 73.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 73.31 110.912 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.455 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 27.9 m -74.57 -39.35 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 74.31 111.09 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -63.42 -42.99 98.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 71.15 110.945 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -36.32 79.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 62.34 110.801 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -73.73 -40.96 63.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 72.42 110.929 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -44.03 97.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.887 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -73.16 -22.36 60.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 73.04 110.865 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -70.73 -44.41 66.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 74.11 110.891 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.9 pp -76.5 -29.14 56.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 75.43 110.934 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -73.73 -30.66 62.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 75.1 110.892 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.7 ptm -87.73 -19.3 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 74.32 110.904 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 pttp -91.52 -13.51 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.897 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.81 -1.24 15.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 72.13 111.073 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 48.15 38.92 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 71.21 110.852 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -177.62 136.7 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 75.42 110.903 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -88.6 91.51 8.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.836 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mp -51.77 158.15 1.72 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.622 0.725 . . . . 73.21 110.878 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.653 2.235 . . . . 71.24 112.347 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.6 t -79.84 164.29 23.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 75.01 111.114 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.8 t -117.81 -18.05 9.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 64.32 111.122 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.4 mt -98.29 67.01 1.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 71.04 110.955 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -132.3 153.95 50.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.885 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.481 ' O ' ' HA ' ' A' ' 124' ' ' PHE . 1.4 p90 -130.33 175.61 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 74.52 110.9 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 43.6 pt -107.27 146.5 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 74.22 111.128 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -26.85 55.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 64.13 110.86 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -6.81 50.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 73.32 111.171 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.42 -3.13 17.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.834 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.8 mm -123.51 -40.06 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 75.52 111.088 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.589 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.3 OUTLIER -53.76 -54.69 43.63 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.612 0.72 . . . . 75.35 110.887 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.0 Cg_endo -69.78 3.69 2.64 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.687 2.258 . . . . 74.11 112.378 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.71 -30.88 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.919 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.6 mt -64.27 -112.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 74.05 110.886 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.411 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 1.1 mt-30 -133.53 140.53 47.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 73.02 110.891 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.41 -23.99 65.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 71.24 110.816 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -100.83 -2.01 33.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 73.02 110.878 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 94' ' ' GLN . 26.0 tp -65.77 -22.24 66.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 73.24 110.926 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.408 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 24.9 mmt180 61.08 161.39 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 71.5 110.904 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.7 Cg_endo -69.81 70.0 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.665 2.244 . . . . 75.54 112.346 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.5 m -97.21 -17.3 19.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 65.03 110.922 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.88 -50.72 56.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 72.54 110.869 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.03 -24.4 9.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.22 111.114 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -91.98 -24.98 19.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.918 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.88 -15.66 41.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 74.43 111.132 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.638 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 14.1 mm -46.87 -51.42 39.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 75.14 111.116 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.75 -30.29 22.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.237 . . . . 73.12 112.34 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.7 m -77.91 -15.62 58.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.43 110.898 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -94.97 -34.76 12.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.54 110.912 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.7 -29.72 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 75.24 110.858 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -56.18 -21.49 23.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.33 110.882 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 9.4 pt -101.11 -11.38 8.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 63.11 111.095 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 71.59 58.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 75.24 110.864 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -121.64 -32.64 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.3 110.909 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 pp -144.56 179.08 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.11 111.088 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.21 177.34 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.902 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -143.15 138.01 29.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 64.42 110.891 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.61 106.32 15.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.879 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -84.4 101.57 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 73.32 110.866 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.0 m -129.63 87.96 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 63.43 110.87 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.507 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 65.73 -148.04 50.83 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.819 -0.705 . . . . 71.02 112.464 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 33.75 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.716 2.277 . . . . 61.43 112.354 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' A' ' 120' ' ' GLY . 14.9 mt -138.32 162.14 35.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 74.21 110.89 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.89 104.59 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 72.24 111.136 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.481 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 54.0 m-85 -95.48 172.22 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 74.45 110.879 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -151.92 124.44 8.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.949 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.43 ' CD1' ' N ' ' A' ' 126' ' ' TYR . 1.0 OUTLIER -120.9 147.67 46.77 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.66 0.743 . . . . 71.14 110.916 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 88.46 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 75.54 112.342 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 45.42 29.77 2.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 65.13 112.449 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.78 -178.13 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 72.53 110.869 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 74.33 110.894 -179.871 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.541 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.793 0.33 . . . . 74.2 111.139 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -55.31 160.21 2.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.81 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.51 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -116.89 -25.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 41.42 111.111 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.678 HG23 ' HB2' ' A' ' 39' ' ' ASP . 18.4 m -152.54 106.98 2.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.571 0.701 . . . . 71.05 111.187 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -175.01 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 2.276 . . . . 72.31 112.323 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -87.25 161.57 17.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 75.42 110.906 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.814 HD11 ' HB3' ' A' ' 31' ' ' MET . 7.8 pt -115.01 138.64 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 72.21 111.07 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.49 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -113.4 -168.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.494 . . . . 74.41 111.101 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.674 ' HA ' HD11 ' A' ' 28' ' ' LEU . 10.8 t0 -57.43 -21.94 39.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 71.02 110.909 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -71.51 -30.07 65.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 71.41 110.89 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.469 ' HG3' HG22 ' A' ' 10' ' ' ILE . 28.5 mm-40 -95.78 -39.04 10.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 75.44 110.882 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CE1' HD13 ' A' ' 23' ' ' LEU . 6.5 t80 -64.19 -40.36 95.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 75.21 110.879 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -58.17 -20.19 38.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 62.24 110.917 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 p -77.41 -11.42 59.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 61.15 111.147 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.714 HD13 ' SG ' ' A' ' 107' ' ' CYS . 2.6 mt -114.63 109.92 47.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.621 0.724 . . . . 62.13 111.121 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 18' ' ' ILE . 54.2 Cg_endo -69.77 162.34 42.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.279 . . . . 64.43 112.354 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -58.04 -20.03 35.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 72.42 110.886 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -61.38 -19.45 61.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 72.35 110.903 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -113.05 -34.11 5.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.926 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.651 HD11 ' O ' ' A' ' 18' ' ' ILE . 5.0 mt -75.44 -52.0 11.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.911 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.57 -89.27 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 72.32 112.496 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -114.93 22.71 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 74.45 110.866 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.48 HD12 ' HB3' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -98.16 176.03 5.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.882 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 26' ' ' LEU . 1.1 p -158.52 162.23 37.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 61.33 111.143 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.674 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -50.63 -42.77 56.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 73.12 110.919 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.27 -41.71 89.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 72.51 110.891 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.0 mtt -63.21 -42.31 99.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.879 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.814 ' HB3' HD11 ' A' ' 10' ' ' ILE . 1.6 mtp -74.51 -37.44 63.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 73.41 110.893 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -57.07 -42.4 80.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.89 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.595 ' CD ' HD13 ' A' ' 97' ' ' LEU . 9.6 pt-20 -78.4 -27.19 46.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 63.13 110.927 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.7 mt -72.73 -46.16 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 63.51 111.183 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.969 HG22 HD11 ' A' ' 108' ' ' LEU . 4.8 t -73.9 -27.58 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 71.31 111.088 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -72.53 -52.96 13.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 61.3 110.853 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.513 ' HB2' HD23 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -62.27 -43.38 98.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.822 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 78.8 mtp -59.22 -49.66 77.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 71.03 110.865 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.678 ' HB2' HG23 ' A' ' 7' ' ' VAL . 51.7 t0 -59.22 -29.9 67.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.43 . . . . 63.25 110.895 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -66.53 -54.95 18.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 53.32 110.864 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -39.44 91.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 71.44 110.865 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.701 HD23 ' CE2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -72.75 -35.02 67.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.915 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.51 ' N ' HD11 ' A' ' 6' ' ' ILE . 10.6 tpt -65.0 -41.31 95.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 64.4 110.871 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.753 ' O ' HD12 ' A' ' 48' ' ' ILE . 5.1 ptpp? -70.66 -34.02 71.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 75.43 110.914 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -62.55 -53.63 51.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 64.53 110.918 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.403 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 1.5 t -64.7 -24.89 67.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.84 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -29.46 63.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 73.4 110.925 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.753 HD12 ' O ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -81.65 -33.22 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 51.34 111.09 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.428 ' N ' HD23 ' A' ' 49' ' ' LEU . 6.1 mt -60.86 -18.78 58.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 61.15 110.891 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.06 -31.28 3.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 54.15 112.516 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.05 -174.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 54.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 p -139.96 -172.72 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 64.42 111.139 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -64.35 -15.55 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.882 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -70.52 -53.41 16.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.896 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.99 -28.59 29.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 73.44 110.936 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 56' ' ' LEU . 2.9 tt -50.77 117.85 2.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.909 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 t -119.36 -174.12 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 63.02 111.11 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -50.76 -50.35 55.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 65.54 110.904 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.615 ' O ' HG13 ' A' ' 63' ' ' VAL . 4.1 m -60.5 -25.98 66.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 52.23 110.857 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -74.87 -33.76 62.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 73.44 110.877 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -38.94 57.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 73.41 110.84 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -68.34 -38.14 81.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 52.34 110.887 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.615 HG13 ' O ' ' A' ' 59' ' ' SER . 27.5 m -72.08 -37.98 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 71.54 111.111 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.46 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -65.84 -39.13 90.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.949 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -41.14 82.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.89 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -73.62 -44.7 56.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 60.32 110.824 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 31.0 m0 -59.5 -43.61 93.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 71.53 110.916 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -22.97 60.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 71.42 110.833 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -69.43 -44.51 71.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 74.14 110.846 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.962 HD22 HG23 ' A' ' 85' ' ' ILE . 3.0 pp -76.0 -32.64 59.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 72.23 110.876 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.61 ' N ' HD12 ' A' ' 70' ' ' LEU . 17.8 mt-10 -68.44 -33.08 73.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.859 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.6 ptm -87.65 -18.44 29.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 62.03 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.47 -18.92 36.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 71.34 110.894 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.633 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -76.21 2.76 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 61.41 111.057 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? 69.8 57.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 72.14 110.887 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt 40.23 40.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.87 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.507 ' CB ' HD12 ' A' ' 78' ' ' LEU . 23.7 mmt180 -102.49 -174.16 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 71.31 110.885 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.695 HD21 ' CD2' ' A' ' 124' ' ' PHE . 4.7 mp 63.93 114.77 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.709 . . . . 42.15 110.901 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -19.24 36.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.732 2.288 . . . . 63.01 112.356 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -92.44 172.08 8.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 72.55 111.103 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 81' ' ' THR . 4.6 m -138.61 9.61 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.22 111.153 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.495 ' HB3' HD11 ' A' ' 42' ' ' LEU . 14.6 mt -117.93 65.46 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 70.51 110.919 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.401 ' CZ ' HD22 ' A' ' 78' ' ' LEU . 3.5 p90 -137.21 172.73 12.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.907 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.701 ' CE2' HD23 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -143.97 171.86 13.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 60.13 110.894 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.962 HG23 HD22 ' A' ' 70' ' ' LEU . 43.1 pt -98.98 143.75 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 65.52 111.112 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.71 -25.29 53.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 72.2 110.886 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.466 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -72.6 -9.82 59.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 64.11 111.195 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.69 -26.19 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 71.42 110.88 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.1 mm -96.11 -36.18 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 61.13 111.15 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.536 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 10.3 tpp85 -50.68 -57.98 11.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 72.04 110.906 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.9 Cg_endo -69.73 5.01 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 63.24 112.331 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.15 -22.48 12.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 73.01 110.895 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' A' ' 37' ' ' LYS . 93.3 mt -71.51 -113.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 72.53 110.872 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.429 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 1.8 mt-30 -136.83 141.46 42.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 75.11 110.88 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -68.29 -22.94 64.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 64.12 110.857 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -101.12 -2.58 31.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.868 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.595 HD13 ' CD ' ' A' ' 33' ' ' GLU . 17.1 tp -64.69 -21.84 66.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 73.11 110.93 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 62.21 163.39 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.702 . . . . 74.31 110.873 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 68.26 1.7 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.731 2.287 . . . . 74.34 112.361 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.18 -15.66 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 72.02 110.825 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -50.95 -52.44 42.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 70.04 110.894 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.8 -22.32 13.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 63.01 111.102 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.48 ' HB3' HD12 ' A' ' 26' ' ' LEU . 3.2 mptp? -97.55 -21.81 16.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 71.3 110.907 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.456 ' HB2' HD21 ' A' ' 26' ' ' LEU . . . -84.66 -17.43 38.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 52.51 111.112 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.637 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 14.6 mm -46.63 -52.16 32.64 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.605 0.717 . . . . 72.53 111.083 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.637 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.8 Cg_endo -69.75 -22.0 32.76 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.678 2.252 . . . . 70.41 112.333 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.714 ' SG ' HD13 ' A' ' 18' ' ' ILE . 7.0 t -83.51 -27.4 29.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 74.04 110.879 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.969 HD11 HG22 ' A' ' 35' ' ' VAL . 2.5 mm? -84.29 -34.08 23.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.893 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.474 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 8.0 ptm180 -79.71 -32.73 41.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.44 110.897 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -55.41 -21.19 14.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.862 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 14.5 pt -106.49 -10.84 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 53.3 111.134 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 70.38 45.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.869 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -100.09 -29.37 12.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 61.33 110.894 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.562 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.9 pp -149.85 -179.65 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 72.31 111.136 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.562 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.3 OUTLIER -140.48 169.77 17.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 74.21 110.852 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.462 ' HG2' HG23 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -143.04 126.92 17.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 73.43 110.92 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.15 111.58 21.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.927 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.14 100.58 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 73.33 110.868 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 28.4 m -121.71 89.4 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.837 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.463 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 62.93 -148.76 49.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 75.33 112.501 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 35.57 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 75.32 112.344 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.463 ' H ' ' C ' ' A' ' 120' ' ' GLY . 32.9 mt -143.95 166.64 24.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 73.12 110.886 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.51 108.73 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 61.43 111.107 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.695 ' CD2' HD21 ' A' ' 78' ' ' LEU . 52.3 m-85 -96.94 163.15 13.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 65.51 110.879 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -148.88 123.55 9.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.133 -0.485 . . . . 70.25 110.955 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -122.47 160.54 47.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.681 0.753 . . . . 61.05 110.918 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 96.69 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 54.3 112.362 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.692 -0.766 . . . . 70.41 112.51 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.814 0.34 . . . . 74.32 111.152 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.5 147.17 42.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.04 110.839 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.769 HD13 ' HB3' ' A' ' 42' ' ' LEU . 1.8 mp -99.62 -33.38 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 61.42 111.145 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.524 HG11 HG22 ' A' ' 114' ' ' ILE . 5.6 m -154.2 100.06 2.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 74.45 111.164 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.6 Cg_endo -69.8 164.26 35.22 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.642 2.228 . . . . 74.1 112.346 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -61.96 169.21 2.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 62.43 110.89 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.875 HD11 ' HB3' ' A' ' 31' ' ' MET . 12.3 pt -120.6 120.44 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 71.05 111.156 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.16 -169.25 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 74.53 111.19 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.844 ' HA ' HD11 ' A' ' 28' ' ' LEU . 7.3 t70 -63.52 -19.54 64.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 71.11 110.864 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -80.68 -29.33 36.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 74.1 110.856 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.411 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 12.6 mm-40 -95.18 -34.4 12.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 71.33 110.879 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -71.57 -33.56 69.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 64.14 110.876 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -66.42 -11.63 52.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.497 . . . . 72.21 110.913 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 p -76.66 -7.68 55.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 55.33 111.129 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.7 mp -110.96 120.46 43.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.689 0.756 . . . . 65.12 111.129 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 154.74 67.49 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.673 2.248 . . . . 51.15 112.345 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -57.03 -28.03 62.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 74.25 110.887 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -62.75 -17.85 61.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 70.42 110.91 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -108.31 -33.48 7.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 64.13 110.91 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.664 ' O ' HD12 ' A' ' 26' ' ' LEU . 80.2 mt -60.95 -60.31 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 53.44 110.924 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.03 74.16 0.51 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.766 -0.731 . . . . 72.15 112.474 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 66.04 13.24 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 75.12 110.888 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 23' ' ' LEU . 2.5 mt -84.25 160.95 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.872 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 m -144.01 158.85 43.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 72.05 111.123 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.844 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -50.71 -42.66 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 71.14 110.938 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.25 -38.18 79.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 74.35 110.918 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.0 mmt -62.81 -48.05 80.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 72.5 110.923 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.875 ' HB3' HD11 ' A' ' 10' ' ' ILE . 6.6 mtt -75.09 -31.83 61.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 72.13 110.866 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -58.84 -42.94 90.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.864 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.631 ' OE2' HD13 ' A' ' 97' ' ' LEU . 8.0 pt-20 -80.07 -31.45 39.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 61.12 110.85 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.401 ' HA ' HD21 ' A' ' 93' ' ' LEU . 44.3 mt -68.06 -46.74 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 75.24 111.133 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.751 HG22 HD11 ' A' ' 108' ' ' LEU . 14.0 t -75.33 -26.94 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.162 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -73.11 -52.17 15.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 43.13 110.843 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.559 ' HB2' HD23 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -66.32 -42.11 88.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.902 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.9 mtm -58.96 -53.47 58.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 53.52 110.881 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -32.01 72.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 74.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -59.94 -55.18 37.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 64.3 110.848 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.401 ' HD2' HD13 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -60.06 -49.65 76.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 74.51 110.858 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.776 HD23 ' CD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -62.74 -33.08 74.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.901 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.653 ' HA ' HD11 ' A' ' 6' ' ' ILE . 54.6 ttp -64.36 -38.48 91.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 74.34 110.89 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.637 ' O ' HD12 ' A' ' 48' ' ' ILE . 3.4 ptmt -72.0 -36.87 69.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 55.55 110.908 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.444 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 31.5 mmtp -61.42 -53.07 61.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 71.13 110.912 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -64.99 -25.51 67.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.23 110.855 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -29.03 64.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 72.51 110.862 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.651 HG21 HD13 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -84.66 -31.88 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 75.3 111.173 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 5.0 mt -61.43 -17.95 56.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 75.45 110.911 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -106.13 -36.75 2.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.695 -0.764 . . . . 71.11 112.498 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.85 171.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 75.25 110.856 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 54' ' ' LYS . 15.2 t -117.17 173.18 6.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 75.23 111.145 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -58.14 -22.36 50.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 63.34 110.933 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.654 ' H ' HG23 ' A' ' 52' ' ' THR . 8.5 mmmm -69.85 -45.99 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 71.01 110.856 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.694 ' O ' HG23 ' A' ' 57' ' ' THR . 12.9 mm-40 -84.28 -26.57 28.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 73.14 110.933 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 56' ' ' LEU . 1.7 tt -49.05 123.79 7.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 73.24 110.888 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 55' ' ' GLN . 43.7 p -127.06 -172.44 2.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 64.22 111.19 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.8 tpp85 -50.13 -46.44 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 62.1 110.861 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.6 ' O ' HG13 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -61.84 -29.23 70.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 55.24 110.897 -179.803 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.536 ' OD1' HD22 ' A' ' 64' ' ' LEU . 6.0 t0 -75.9 -32.93 59.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 52.24 110.919 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.504 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -75.1 -38.86 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 75.05 110.853 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.4 -42.51 75.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 64.33 110.875 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.632 HG21 HD13 ' A' ' 48' ' ' ILE . 29.1 m -66.57 -40.33 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 73.54 111.144 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.651 HD13 HG21 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -63.75 -44.79 92.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.916 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -42.17 97.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 73.35 110.836 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.445 ' OD1' HD11 ' A' ' 70' ' ' LEU . 18.6 t-20 -70.23 -46.28 64.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.898 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.71 ' HA ' HD12 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -49.84 -48.7 50.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 73.41 110.963 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -22.42 61.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 73.24 110.914 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -38.53 63.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 72.33 110.884 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.742 HD22 HG23 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -75.57 -42.69 51.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 75.43 110.93 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.08 -29.01 68.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 53.41 110.928 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.0 ptm -87.98 -17.33 31.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 43.54 110.897 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -91.23 -12.34 35.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 62.44 110.915 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.675 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -75.58 0.03 18.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 45.2 111.134 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 48.23 36.69 7.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 65.13 110.901 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -178.4 165.65 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.914 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -104.98 91.11 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 64.25 110.885 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.434 HD22 ' CE2' ' A' ' 83' ' ' PHE . 7.4 mp -63.31 160.59 39.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 43.54 110.954 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -36.64 10.38 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.711 2.274 . . . . 74.2 112.301 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.6 m -122.99 99.53 6.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 74.43 111.15 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 m -65.27 -12.57 53.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 64.45 111.186 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.693 ' HB3' HD11 ' A' ' 42' ' ' LEU . 17.6 mt -75.38 71.84 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.901 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.434 ' CE2' HD22 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -141.01 -177.73 5.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 72.23 110.892 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.776 ' CD2' HD23 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -151.32 168.47 24.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.904 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.742 HG23 HD22 ' A' ' 70' ' ' LEU . 33.8 pt -99.16 153.12 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 65.12 111.15 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -56.19 -30.3 62.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 55.41 110.851 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -8.94 58.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 71.2 111.139 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -98.93 -6.93 27.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 63.42 110.871 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.401 HD13 ' HD2' ' A' ' 41' ' ' PHE . 12.4 mm -122.59 -37.36 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.11 111.165 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.528 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 13.0 ttt180 -49.38 -58.62 8.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 74.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.75 9.32 0.61 Allowed 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.689 2.259 . . . . 70.1 112.353 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -112.89 -23.26 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 51.43 110.902 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.559 HD23 ' HB2' ' A' ' 37' ' ' LYS . 36.0 mt -73.8 -118.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 54.15 110.903 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.476 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.7 tt0 -134.81 143.42 47.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 71.53 110.952 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.09 -39.32 93.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.872 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -90.42 21.27 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 51.43 110.909 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.631 HD13 ' OE2' ' A' ' 33' ' ' GLU . 9.6 tp -80.67 -22.31 40.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.935 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 64.35 164.11 0.12 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 64.24 110.854 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 69.4 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.649 2.233 . . . . 62.32 112.338 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.72 -23.97 15.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.9 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.615 ' CE1' HD11 ' A' ' 105' ' ' ILE . 15.8 t80 -51.63 -50.48 60.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 74.11 110.878 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.0 -19.94 21.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 44.03 111.073 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.38 -20.13 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.901 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.92 -19.98 33.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 74.51 111.11 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.639 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 15.5 mm -46.32 -52.26 29.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.668 0.747 . . . . 53.4 111.147 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.4 Cg_endo -69.78 -30.75 21.67 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.664 2.243 . . . . 70.33 112.387 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 4.7 m -77.7 -13.9 59.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 72.54 110.867 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.751 HD11 HG22 ' A' ' 35' ' ' VAL . 3.3 mm? -95.15 -34.68 12.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 75.32 110.91 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.44 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 15.0 ptm180 -84.14 -30.63 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 70.13 110.852 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -56.57 -20.8 22.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 62.14 110.843 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.695 HD12 ' HD2' ' A' ' 113' ' ' ARG . 13.1 pt -101.16 -11.39 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 63.11 111.09 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.51 57.59 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 74.1 110.882 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.695 ' HD2' HD12 ' A' ' 111' ' ' ILE . 13.0 mtp85 -121.29 -31.57 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 72.34 110.851 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.582 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.5 pp -144.57 -179.27 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 63.22 111.117 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.582 ' N ' HD12 ' A' ' 114' ' ' ILE . 18.5 mtp85 -146.18 175.35 10.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 73.14 110.863 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.48 130.38 18.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 62.11 110.856 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.48 106.74 14.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.895 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -81.95 102.19 10.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 73.54 110.864 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 6.5 m -125.74 93.86 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.892 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.43 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 60.52 -149.27 43.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 35.13 112.475 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 39.34 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 74.3 112.35 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.43 ' H ' ' C ' ' A' ' 120' ' ' GLY . 77.7 mt -147.71 166.89 26.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 43.35 110.876 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m -153.25 111.4 3.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 44.53 111.107 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.675 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 32.0 m-85 -97.92 168.13 10.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 73.51 110.908 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.406 ' H ' ' HB2' ' A' ' 83' ' ' PHE . 37.3 m-85 -151.37 118.8 6.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.96 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -123.95 160.27 52.6 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.653 0.739 . . . . 71.34 110.939 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' PRO . . . . . 0.48 ' HB3' HG22 ' A' ' 6' ' ' ILE . 53.4 Cg_endo -69.82 93.64 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 2.262 . . . . 61.14 112.348 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 63.13 112.462 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.52 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.851 0.358 . . . . 73.21 111.152 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.08 162.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 65.13 110.895 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.495 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -116.85 -21.19 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 54.04 111.113 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.622 HG23 ' HB2' ' A' ' 39' ' ' ASP . 10.5 m -153.48 98.52 2.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 71.11 111.146 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.7 Cg_endo -69.77 172.34 12.82 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.636 2.224 . . . . 72.11 112.381 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -74.2 164.8 26.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.889 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.869 HD11 ' HB3' ' A' ' 31' ' ' MET . 11.8 pt -116.87 119.46 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 71.23 111.11 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.04 -166.58 1.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 73.05 111.144 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.758 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -63.33 -20.26 65.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 73.53 110.849 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -79.88 -29.93 40.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.844 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -95.78 -32.63 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.903 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.419 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 13.3 t80 -72.14 -37.19 69.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.22 110.858 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -10.63 53.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 75.43 110.929 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 p -76.99 -9.62 58.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 74.5 111.13 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.448 ' HB ' HD21 ' A' ' 23' ' ' LEU . 2.7 mp -106.67 129.62 24.15 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 61.31 111.148 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.58 63.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 74.22 112.314 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -56.03 -24.1 37.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.864 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -63.05 -20.75 65.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 75.23 110.896 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -101.92 -38.49 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 71.41 110.906 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.448 HD21 ' HB ' ' A' ' 18' ' ' ILE . 10.1 mt -72.15 -53.52 12.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 55.43 110.935 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.27 -91.84 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 22.24 112.473 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -110.8 25.48 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 75.15 110.89 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.65 166.85 11.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.928 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 28' ' ' LEU . 4.0 m -147.15 160.32 42.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 45.24 111.167 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.758 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -51.92 -42.32 62.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 72.24 110.925 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.05 -38.04 84.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.861 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.415 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -62.43 -47.56 83.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 71.43 110.898 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.869 ' HB3' HD11 ' A' ' 10' ' ' ILE . 43.3 mtp -75.95 -32.29 59.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.854 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -58.51 -42.12 86.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.859 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.585 ' OE1' HD22 ' A' ' 97' ' ' LEU . 7.8 pt-20 -81.07 -35.0 32.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 71.12 110.937 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.705 HG23 ' CE2' ' A' ' 101' ' ' PHE . 38.8 mt -64.56 -46.11 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 61.12 111.165 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 31' ' ' MET . 19.9 t -75.45 -31.53 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.15 111.107 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 t -70.03 -48.61 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 41.32 110.838 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.57 -54.59 25.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 70.43 110.884 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.451 ' HE1' HG21 ' A' ' 114' ' ' ILE . 20.9 ptm -51.39 -39.11 56.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 62.33 110.904 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.622 ' HB2' HG23 ' A' ' 7' ' ' VAL . 49.2 t0 -68.62 -30.78 69.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 73.52 110.839 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -63.62 -49.51 73.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 64.3 110.845 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.91 -49.62 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.891 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.696 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -63.17 -33.83 76.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 74.54 110.906 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.495 ' N ' HD11 ' A' ' 6' ' ' ILE . 50.8 ttp -64.6 -40.23 95.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.889 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.556 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -69.1 -33.39 73.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 61.35 110.908 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 28.5 tptt -65.04 -53.67 42.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 72.4 110.889 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.7 p -62.45 -25.97 68.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 65.34 110.847 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -29.77 62.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 64.45 110.909 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.556 HD12 ' O ' ' A' ' 44' ' ' LYS . 6.3 mt -79.49 -32.06 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 74.3 111.103 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.826 HD11 HD21 ' A' ' 82' ' ' LEU . 5.8 mt -62.77 -19.92 64.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 63.31 110.943 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -109.36 -28.32 4.39 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 60.32 112.508 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -63.48 -175.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.367 . . . . 74.2 110.916 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.553 HG21 ' HE3' ' A' ' 54' ' ' LYS . 15.1 t -132.51 171.81 13.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 74.42 111.141 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -53.95 -30.33 46.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.904 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.553 ' HE3' HG21 ' A' ' 52' ' ' THR . 48.7 mtmt -62.39 -41.73 98.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 75.25 110.904 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 57' ' ' THR . 7.5 tp-100 -84.02 -35.52 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 65.34 110.964 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.539 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.1 tt -49.28 129.33 18.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 55' ' ' GLN . 30.4 p -127.28 -173.4 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 71.03 111.148 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -52.13 -49.96 62.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 72.13 110.877 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.592 ' O ' HG13 ' A' ' 63' ' ' VAL . 3.8 m -58.31 -30.23 66.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 64.24 110.886 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -74.43 -33.4 62.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 75.51 110.895 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.539 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -75.85 -38.19 58.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 73.24 110.852 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.92 -36.87 78.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 75.13 110.854 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 59' ' ' SER . 30.2 m -73.96 -39.85 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 73.11 111.119 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.5 HD12 ' HE3' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -62.48 -45.23 93.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 64.15 110.912 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.2 -43.71 85.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.909 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -64.05 -46.78 82.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 73.23 110.888 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.756 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.4 m0 -55.19 -51.31 66.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 73.2 110.893 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -22.94 65.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 71.04 110.884 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.32 -34.01 63.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.895 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.803 HD22 ' CG2' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -75.39 -43.9 47.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 52.31 110.885 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -67.17 -28.65 68.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 63.31 110.865 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -88.35 -16.24 33.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.906 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm -90.63 -14.38 32.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 73.22 110.913 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.756 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -74.28 1.02 12.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 64.03 111.082 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 49.1 35.5 7.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.862 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -174.06 161.27 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 73.4 110.9 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -102.99 90.85 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.897 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 mp -54.08 162.48 1.48 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.625 0.726 . . . . 64.52 110.862 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -47.55 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.718 2.279 . . . . 53.4 112.353 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.699 HG21 ' CG ' ' A' ' 126' ' ' TYR . 6.2 t -91.21 159.05 16.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 73.55 111.11 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 81' ' ' THR . 3.5 m -117.72 11.92 13.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 65.13 111.178 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.826 HD21 HD11 ' A' ' 49' ' ' LEU . 79.6 mt -123.22 67.59 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 70.35 110.953 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.558 ' HD2' HG23 ' A' ' 80' ' ' THR . 5.3 p90 -131.73 169.0 16.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 65.33 110.916 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.696 ' HD2' HD23 ' A' ' 42' ' ' LEU . 5.5 p90 -144.04 175.07 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.872 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.803 ' CG2' HD22 ' A' ' 70' ' ' LEU . 43.0 pt -106.05 148.84 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 74.41 111.113 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.92 -29.22 59.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 72.31 110.894 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.487 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -75.71 -6.13 49.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 70.14 111.12 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.463 ' O ' HD13 ' A' ' 89' ' ' ILE . 0.6 OUTLIER -96.2 -10.47 28.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 63.15 110.851 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.467 HG13 ' CE1' ' A' ' 84' ' ' PHE . 8.8 mm -123.79 -35.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 63.43 111.116 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.536 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 2.1 ttp180 -49.02 -58.16 9.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 72.33 110.886 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.3 Cg_endo -69.81 4.47 2.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.647 2.231 . . . . 73.14 112.345 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.26 -32.84 7.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 62.13 110.843 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 34' ' ' ILE . 78.5 mt -63.56 -108.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.274 -0.421 . . . . 72.35 110.911 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.505 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.2 tt0 -140.72 143.43 35.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 42.04 110.898 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -67.32 -39.61 85.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.91 18.35 4.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 73.44 110.867 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.585 HD22 ' OE1' ' A' ' 33' ' ' GLU . 13.0 tp -80.29 -23.67 40.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 73.51 110.935 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.4 mtp85 65.24 164.54 0.12 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 74.5 110.87 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 73.14 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 75.31 112.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.4 p -98.67 -30.39 12.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.881 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.705 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -50.97 -51.4 52.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.857 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.16 -22.51 11.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 74.12 111.12 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -98.64 -19.35 17.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 52.04 110.876 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.4 -15.68 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 75.34 111.11 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.631 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 15.9 mm -46.08 -52.33 27.66 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 74.24 111.154 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.81 -31.86 19.5 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.667 2.245 . . . . 71.52 112.314 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.1 m -74.94 -16.99 60.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 64.01 110.924 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.61 HD11 HG22 ' A' ' 35' ' ' VAL . 3.5 mm? -92.74 -37.78 12.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.923 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.441 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 10.2 ptm180 -80.87 -30.47 35.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 72.21 110.869 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -56.28 -22.15 28.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.873 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 15.3 pt -103.17 -7.77 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 55.22 111.16 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 71.12 56.66 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 74.14 110.88 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -117.59 -31.35 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 73.51 110.896 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.565 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.5 pp -146.94 -179.47 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 72.44 111.118 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.565 ' N ' HD12 ' A' ' 114' ' ' ILE . 7.5 mtm180 -143.86 173.56 11.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 71.53 110.879 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.566 ' OE1' HG23 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -150.43 126.37 10.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.87 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -113.49 105.94 13.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 72.53 110.87 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.83 101.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 72.4 110.896 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 13.7 m -112.9 81.59 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 71.22 110.909 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.414 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 68.59 -141.24 36.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.784 -0.722 . . . . 21.12 112.456 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.414 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 53.9 Cg_endo -69.76 5.27 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.69 2.26 . . . . 64.42 112.38 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.1 mt -120.88 176.37 5.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 63.24 110.912 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 5.4 m -158.7 120.8 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 72.02 111.143 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.756 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 49.6 m-85 -99.26 172.62 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 62.04 110.888 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -152.41 124.62 8.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.923 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.699 ' CG ' HG21 ' A' ' 80' ' ' THR . 0.5 OUTLIER -126.58 156.26 73.47 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.658 0.742 . . . . 72.52 110.898 -179.875 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 93.48 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.716 2.278 . . . . 72.14 112.344 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.728 . . . . 63.51 112.448 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.535 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.813 0.339 . . . . 63.11 111.092 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.24 146.63 27.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 74.33 110.887 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.697 HD11 ' HA ' ' A' ' 43' ' ' MET . 1.7 mp -96.93 -34.28 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 64.44 111.119 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.464 HG23 ' HB2' ' A' ' 39' ' ' ASP . 3.9 m -154.75 100.03 2.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.631 0.729 . . . . 60.15 111.091 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.3 Cg_endo -69.82 166.17 28.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.656 2.237 . . . . 71.01 112.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -59.38 162.8 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 75.35 110.922 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.782 HD11 ' HB3' ' A' ' 31' ' ' MET . 31.2 pt -117.6 135.78 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.32 111.075 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.434 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -101.27 -174.54 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.44 111.198 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.751 ' HA ' HD11 ' A' ' 28' ' ' LEU . 6.7 t0 -58.11 -21.88 48.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 71.13 110.887 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.33 -28.86 67.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.32 110.856 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.537 ' O ' HG22 ' A' ' 17' ' ' THR . 8.6 mm-40 -105.04 -43.58 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 44.02 110.891 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -56.65 -33.98 66.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.908 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -8.87 57.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 74.44 110.877 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -77.22 -7.18 55.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 73.23 111.159 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.459 HG23 ' HD2' ' A' ' 19' ' ' PRO . 3.3 mp -108.05 133.41 20.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.645 0.736 . . . . 54.53 111.15 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.459 ' HD2' HG23 ' A' ' 18' ' ' ILE . 53.9 Cg_endo -69.73 145.54 57.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 71.14 112.359 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.6 -24.03 30.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 71.24 110.901 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -62.52 -20.76 64.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.902 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -102.0 -37.12 8.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 75.41 110.894 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.443 HD21 ' HB ' ' A' ' 18' ' ' ILE . 11.0 mt -71.87 -53.82 12.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 74.03 110.947 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.38 -91.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 71.25 112.474 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.59 25.74 11.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.375 . . . . 72.11 110.891 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -99.4 164.76 11.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 63.4 110.926 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -148.14 161.95 40.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 72.41 111.149 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.751 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -50.79 -42.55 58.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 53.3 110.928 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -40.02 83.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 62.52 110.922 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.402 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -62.39 -46.11 90.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 73.44 110.934 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.782 ' HB3' HD11 ' A' ' 10' ' ' ILE . 6.4 mtt -74.47 -33.3 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 73.41 110.928 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -58.3 -42.59 86.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 61.41 110.902 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.558 ' OE1' HD22 ' A' ' 97' ' ' LEU . 6.8 pt-20 -81.27 -33.49 32.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.912 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.583 HG23 ' CE2' ' A' ' 101' ' ' PHE . 36.6 mt -66.13 -45.83 89.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 74.35 111.185 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 31' ' ' MET . 19.0 t -75.27 -33.6 28.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 64.3 111.119 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -69.69 -45.86 67.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 54.15 110.854 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -66.52 -55.24 16.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 63.33 110.935 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 24.6 ptm -52.09 -39.91 60.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 75.35 110.852 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' HB2' HG23 ' A' ' 7' ' ' VAL . 31.3 t0 -70.02 -29.13 66.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 73.41 110.865 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -64.96 -55.3 19.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 55.21 110.923 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -47.53 84.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 73.15 110.832 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.812 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -63.65 -30.02 71.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 70.31 110.907 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.697 ' HA ' HD11 ' A' ' 6' ' ' ILE . 12.8 tpt -67.64 -38.92 84.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.861 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -71.18 -37.18 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 62.01 110.896 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 4.2 tttt -63.24 -53.09 58.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 71.2 110.878 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 t -62.38 -26.57 68.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.854 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -28.79 61.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 52.25 110.914 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 44' ' ' LYS . 7.3 mt -81.27 -31.16 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 74.42 111.139 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.437 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.9 mt -63.14 -21.5 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 74.01 110.929 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -105.47 -35.14 3.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 61.12 112.504 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 tptt -55.82 176.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.885 0.374 . . . . 62.13 110.873 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 p -115.61 170.37 8.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 72.45 111.184 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -62.25 -22.4 65.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 74.12 110.862 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -72.11 -37.2 69.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 71.23 110.845 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -90.48 -31.42 16.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.913 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.743 HD21 ' HD2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -51.79 130.84 29.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 72.21 110.937 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.6 p -115.53 -174.09 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 73.34 111.146 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.2 ttm-85 -60.44 -44.12 96.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 75.44 110.914 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.556 ' O ' HG13 ' A' ' 63' ' ' VAL . 4.7 m -55.45 -35.88 65.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.839 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -73.9 -32.07 63.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 73.41 110.899 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.743 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -74.99 -44.81 46.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.43 110.848 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.43 -44.04 95.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.02 110.902 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 59' ' ' SER . 32.6 m -65.42 -42.62 93.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 63.31 111.123 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.462 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.6 OUTLIER -57.19 -45.07 84.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 63.22 110.921 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.98 -31.23 72.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 70.52 110.836 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -74.43 -41.46 60.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.51 110.878 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.626 ' HE3' HD21 ' A' ' 70' ' ' LEU . 12.9 m95 -62.48 -40.18 95.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 75.3 110.923 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -24.32 56.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.25 110.891 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -72.04 -43.28 65.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.866 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.768 HD22 HG23 ' A' ' 85' ' ' ILE . 1.8 pp -75.27 -36.47 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 75.33 110.923 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.433 ' N ' HD12 ' A' ' 70' ' ' LEU . 72.1 tt0 -66.86 -33.98 76.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 63.02 110.88 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.3 ptm -88.63 -14.48 37.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 72.4 110.882 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.432 ' HB3' HD11 ' A' ' 122' ' ' LEU . 1.3 mttt -84.34 -21.54 30.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 71.14 110.883 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.533 ' HB1' ' HB3' ' A' ' 119' ' ' CYS . . . -75.77 1.02 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 72.12 111.09 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 43.91 34.86 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 63.42 110.89 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -152.29 128.59 10.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 61.23 110.884 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.77 90.89 5.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 74.22 110.883 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.479 HD21 ' CD1' ' A' ' 124' ' ' PHE . 5.5 mp -61.66 159.82 31.14 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 64.13 110.938 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -49.03 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.684 2.256 . . . . 71.43 112.331 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.608 HG21 ' CG ' ' A' ' 126' ' ' TYR . 9.0 t -98.4 167.81 10.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 71.35 111.185 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.9 m -122.23 -21.58 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 71.12 111.134 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 82' ' ' LEU . 11.1 mt -80.68 71.79 7.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 64.14 110.904 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.42 -174.81 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 75.41 110.864 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.812 ' HD2' HD23 ' A' ' 42' ' ' LEU . 2.4 p90 -152.11 174.36 13.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 73.34 110.87 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.768 HG23 HD22 ' A' ' 70' ' ' LEU . 48.8 pt -114.26 142.16 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 72.4 111.17 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -22.75 33.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 75.33 110.899 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.66 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -69.98 -10.14 57.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.31 111.192 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -118.52 5.28 11.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 71.4 110.815 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.419 HG13 ' CE1' ' A' ' 84' ' ' PHE . 18.1 mm -124.18 -34.3 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 73.14 111.125 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.559 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 4.7 ttp180 -59.93 -56.84 31.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 64.51 110.879 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.3 Cg_endo -69.75 4.19 2.33 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 73.12 112.379 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.21 -35.35 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 64.12 110.87 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 34' ' ' ILE . 78.3 mt -63.69 -106.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.964 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.426 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -141.93 134.44 28.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 71.15 110.916 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -64.9 -20.92 66.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 72.35 110.83 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -101.12 -3.47 29.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 75.3 110.869 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.558 HD22 ' OE1' ' A' ' 33' ' ' GLU . 16.7 tp -65.52 -23.89 66.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 72.43 110.905 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.521 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 9.9 mtp180 68.61 159.41 0.15 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.631 0.729 . . . . 70.14 110.829 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.521 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 54.1 Cg_endo -69.74 70.15 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.255 . . . . 61.51 112.352 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 m -98.41 -17.55 18.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.198 -0.455 . . . . 71.54 110.854 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.583 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -50.98 -49.25 60.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.854 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.83 -22.13 13.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 65.44 111.074 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.419 ' HB3' HD12 ' A' ' 26' ' ' LEU . 2.1 mptm? -94.53 -19.57 20.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.24 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.62 -17.37 24.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 64.2 111.103 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.639 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.5 mm -46.61 -52.36 31.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 63.44 111.116 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.2 Cg_endo -69.7 -30.78 22.03 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.669 2.246 . . . . 74.31 112.384 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.4 m -76.9 -15.16 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.31 110.93 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.655 HD11 HG22 ' A' ' 35' ' ' VAL . 3.3 mm? -95.41 -33.63 12.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 63.15 110.938 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.424 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 0.3 OUTLIER -85.57 -30.2 23.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.879 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -56.44 -21.68 27.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 61.24 110.843 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.546 HD12 ' CD ' ' A' ' 113' ' ' ARG . 19.1 pt -98.22 -10.57 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 61.31 111.107 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.7 58.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.851 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.546 ' CD ' HD12 ' A' ' 111' ' ' ILE . 20.4 mtp85 -124.51 -35.28 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 73.32 110.861 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.576 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.3 pp -142.05 171.0 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 74.23 111.087 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.576 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.3 OUTLIER -139.1 174.6 10.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.846 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -147.08 129.22 15.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.865 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -113.31 106.4 14.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 72.01 110.891 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -80.48 102.6 9.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 73.44 110.84 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.533 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 6.7 m -126.5 95.13 4.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 64.44 110.864 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 58.78 -149.29 37.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 72.35 112.478 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 40.95 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.637 2.224 . . . . 63.42 112.351 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 73' ' ' LYS . 60.8 mt -150.4 167.76 26.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 74.12 110.927 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.1 113.69 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 74.41 111.151 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.479 ' CD1' HD21 ' A' ' 78' ' ' LEU . 22.3 m-85 -96.17 163.79 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.4 110.886 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -150.9 118.55 6.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 65.44 110.945 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.608 ' CG ' HG21 ' A' ' 80' ' ' THR . 0.3 OUTLIER -121.26 157.02 56.92 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.659 0.743 . . . . 75.04 110.951 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 127' ' ' PRO . . . . . 0.427 ' HG3' HG21 ' A' ' 6' ' ' ILE . 53.4 Cg_endo -69.8 80.75 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 42.42 112.306 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 74.04 112.496 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.544 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.843 0.354 . . . . 73.43 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.422 ' H ' ' NE ' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -55.06 158.44 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 62.05 110.898 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.471 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -116.58 -25.76 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 74.12 111.142 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.676 HG23 ' HB2' ' A' ' 39' ' ' ASP . 5.7 m -154.69 99.52 2.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 71.53 111.125 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 174.21 9.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 74.04 112.329 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.79 159.9 33.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.878 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.897 HD11 ' HB3' ' A' ' 31' ' ' MET . 8.9 pt -115.56 116.76 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 62.13 111.159 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.21 -169.43 2.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 61.02 111.136 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.771 ' HA ' HD11 ' A' ' 28' ' ' LEU . 2.4 t70 -60.35 -20.72 60.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 73.11 110.89 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.47 -29.36 59.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 54.35 110.883 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 79.4 mm-40 -99.34 -34.24 10.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 63.4 110.867 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -68.6 -38.62 80.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.41 110.865 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -13.64 60.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 60.2 110.893 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 p -77.97 -9.7 59.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 74.21 111.094 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.423 ' HB ' HD21 ' A' ' 23' ' ' LEU . 4.0 mt -102.7 127.55 29.94 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.628 0.728 . . . . 65.15 111.151 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 148.67 65.94 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.7 2.267 . . . . 63.04 112.395 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -56.36 -24.15 42.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 73.55 110.921 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -63.1 -20.41 65.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 74.03 110.886 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -102.24 -36.82 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 72.34 110.92 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.423 HD21 ' HB ' ' A' ' 18' ' ' ILE . 8.6 mt -73.25 -53.01 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 71.3 110.936 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.94 -89.38 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 73.4 112.46 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -118.08 23.86 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 71.22 110.886 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.404 HD23 ' CB ' ' A' ' 30' ' ' MET . 0.2 OUTLIER -97.07 176.2 6.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.912 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -155.19 165.01 38.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 72.11 111.153 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.771 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -51.65 -40.99 61.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 42.44 110.913 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.01 -41.74 97.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.9 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.404 ' CB ' HD23 ' A' ' 26' ' ' LEU . 2.6 mtt -62.68 -43.0 99.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 60.35 110.862 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.897 ' HB3' HD11 ' A' ' 10' ' ' ILE . 69.3 mtp -75.69 -35.28 60.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 71.11 110.893 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -57.88 -43.16 85.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 64.22 110.826 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.713 ' OE1' HD22 ' A' ' 97' ' ' LEU . 7.6 pt-20 -78.07 -34.67 50.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.901 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.596 ' HA ' HD21 ' A' ' 93' ' ' LEU . 43.8 mt -65.57 -47.03 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 71.11 111.15 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.783 HG22 HD11 ' A' ' 108' ' ' LEU . 16.6 t -73.24 -27.27 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 72.32 111.152 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -74.88 -53.76 8.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 60.44 110.847 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -59.82 -49.66 76.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 71.22 110.931 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.583 ' HA ' HD12 ' A' ' 89' ' ' ILE . 13.1 ttt -57.91 -45.26 86.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 71.51 110.88 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.676 ' HB2' HG23 ' A' ' 7' ' ' VAL . 52.0 t0 -62.76 -29.31 70.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.853 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.6 -52.24 40.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 75.41 110.804 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.503 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -66.14 -36.02 82.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.889 -179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -75.37 -28.66 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 71.21 110.894 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.471 ' N ' HD11 ' A' ' 6' ' ' ILE . 5.1 tpt -71.67 -42.82 67.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 73.23 110.842 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -70.5 -36.99 74.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 42.11 110.892 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -63.9 -53.26 53.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.5 110.908 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 t -61.32 -26.75 68.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 73.45 110.864 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -28.55 62.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 72.12 110.863 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.4 mt -79.48 -32.66 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 64.12 111.188 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.446 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.7 mt -64.55 -19.53 65.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 72.53 110.889 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.88 36.71 2.07 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.805 -0.712 . . . . 54.32 112.504 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.11 145.24 30.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 71.12 110.888 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.71 148.91 37.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 73.01 111.17 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -61.75 -20.19 63.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 42.3 110.902 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -64.33 -37.53 87.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 70.11 110.867 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.442 ' O ' HG23 ' A' ' 57' ' ' THR . 1.7 mm100 -94.93 -31.67 13.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 63.52 110.914 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.403 HD23 ' C ' ' A' ' 56' ' ' LEU . 9.0 tt -61.21 128.68 37.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 74.34 110.851 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 55' ' ' GLN . 27.3 p -131.01 -173.6 3.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 60.34 111.095 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -51.89 -38.85 57.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.888 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.545 ' O ' HG13 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -51.52 -33.3 31.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 63.41 110.827 -179.79 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' OD1' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -73.99 -34.79 64.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 70.34 110.881 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.26 -30.99 48.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 73.12 110.848 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.96 -34.61 64.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 53.22 110.887 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 59' ' ' SER . 34.1 m -79.87 -42.63 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.03 111.14 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.467 ' N ' HG23 ' A' ' 63' ' ' VAL . 3.2 mp -63.0 -48.05 80.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.896 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.22 -44.39 79.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 64.23 110.859 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -64.75 -43.89 91.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 61.54 110.913 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 27.4 m0 -68.2 -35.56 78.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 72.04 110.896 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -24.28 44.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 72.51 110.851 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -74.28 -42.77 59.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 74.51 110.866 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 71' ' ' GLU . 2.8 pp -76.1 -38.86 56.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.921 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.614 ' N ' HD12 ' A' ' 70' ' ' LEU . 1.7 pp20? -67.07 -31.24 71.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 60.01 110.885 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.4 ptm -85.55 -19.69 30.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 65.15 110.89 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.35 0.15 42.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 75.54 110.887 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.403 ' HB1' ' CB ' ' A' ' 119' ' ' CYS . . . -73.68 0.42 12.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 62.24 111.114 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 55.05 57.89 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.857 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -160.1 156.42 26.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.928 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.95 97.95 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 64.03 110.883 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.633 HD11 ' SG ' ' A' ' 119' ' ' CYS . 6.4 mp -99.38 111.2 60.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.639 0.733 . . . . 72.32 110.955 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -26.6 27.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.647 2.231 . . . . 61.33 112.346 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.654 HG21 ' CD1' ' A' ' 126' ' ' TYR . 2.6 t -83.21 157.42 22.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 65.3 111.161 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 58.0 m -115.84 -28.21 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 53.24 111.179 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 82' ' ' LEU . 10.8 mt -96.09 73.33 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 71.22 110.876 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.648 ' HD2' HG23 ' A' ' 80' ' ' THR . 6.5 p90 -129.12 160.4 32.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 70.01 110.915 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -133.32 174.71 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 71.0 110.861 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.532 HD12 ' OG1' ' A' ' 87' ' ' THR . 22.9 pt -111.95 159.49 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 65.2 111.134 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.0 -25.69 59.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.845 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.532 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -70.73 -8.08 49.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 73.3 111.189 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.71 0.57 16.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 73.22 110.849 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 38' ' ' MET . 19.4 mm -123.36 -41.31 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 74.33 111.136 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.52 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 12.4 ttt-85 -56.25 -58.38 16.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.665 0.745 . . . . 74.44 110.842 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.4 Cg_endo -69.73 12.2 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.69 2.26 . . . . 74.41 112.323 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.409 ' H ' ' C ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -114.53 -23.62 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.884 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.596 HD21 ' HA ' ' A' ' 34' ' ' ILE . 25.5 mt -71.14 -113.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 72.02 110.919 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.55 136.39 50.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 64.43 110.896 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.19 -22.28 66.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 75.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -101.02 -3.47 29.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.51 110.868 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.713 HD22 ' OE1' ' A' ' 33' ' ' GLU . 37.3 tp -65.95 -18.82 65.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.931 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.487 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 13.0 mmt180 64.43 157.55 0.12 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.645 0.736 . . . . 73.52 110.863 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.487 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.4 Cg_endo -69.8 71.64 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.65 2.233 . . . . 74.15 112.393 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.0 m -97.71 -16.14 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 62.32 110.883 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.502 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -50.81 -49.86 57.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 73.55 110.889 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.04 -23.12 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 51.42 111.102 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.59 -23.0 17.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 73.33 110.894 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.29 -14.54 40.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 71.11 111.091 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.636 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.9 mm -45.82 -52.24 26.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.661 0.743 . . . . 64.43 111.129 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.75 -28.98 24.65 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 73.11 112.317 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.448 ' HB2' ' HE3' ' A' ' 31' ' ' MET . 8.1 m -75.89 -16.93 59.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 72.31 110.871 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.783 HD11 HG22 ' A' ' 35' ' ' VAL . 2.3 mm? -90.92 -37.56 13.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.884 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.408 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 10.2 ptt85 -83.29 -28.83 28.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 75.12 110.874 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -56.51 -22.65 34.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.897 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.512 HD12 ' CD ' ' A' ' 113' ' ' ARG . 12.1 pt -99.26 -8.25 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 72.22 111.139 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 72.92 58.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 73.34 110.838 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.512 ' CD ' HD12 ' A' ' 111' ' ' ILE . 60.8 mtt180 -123.17 -40.15 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 75.15 110.887 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 pp -149.13 161.9 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 65.41 111.088 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -127.01 178.28 6.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.847 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.43 127.72 32.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 64.21 110.896 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.07 105.11 13.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 62.42 110.886 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.0 tpp85 -73.74 102.97 4.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 61.53 110.865 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.633 ' SG ' HD11 ' A' ' 78' ' ' LEU . 8.5 m -115.85 82.03 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.883 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.54 -139.02 34.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 63.55 112.487 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 1.78 4.16 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.724 2.283 . . . . 72.12 112.29 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.3 mp -119.75 177.89 4.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 73.51 110.918 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.4 m -157.61 125.77 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 64.35 111.136 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.483 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 68.2 m-85 -106.71 173.41 6.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 73.24 110.887 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -150.11 129.04 12.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 73.03 110.932 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.654 ' CD1' HG21 ' A' ' 80' ' ' THR . 5.5 p90 -121.01 147.11 45.63 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.664 0.745 . . . . 73.22 110.944 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 80.68 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 71.44 112.384 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 73.15 112.482 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.538 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.796 0.332 . . . . 71.11 111.124 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -60.66 146.5 45.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.854 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.751 HD13 ' HB3' ' A' ' 42' ' ' LEU . 3.0 mp -93.89 -35.7 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 74.01 111.119 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.414 ' O ' HG23 ' A' ' 7' ' ' VAL . 22.7 m -151.81 120.67 3.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.642 0.734 . . . . 73.53 111.107 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -168.97 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.695 2.263 . . . . 71.55 112.335 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -95.88 170.44 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 53.2 110.973 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.847 HD11 ' HB3' ' A' ' 31' ' ' MET . 10.9 pt -115.99 121.29 67.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 75.52 111.123 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.32 -167.44 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 61.11 111.17 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.684 ' HA ' HD11 ' A' ' 28' ' ' LEU . 5.1 t70 -59.19 -20.12 51.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 64.12 110.896 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -82.77 -29.18 29.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 71.41 110.885 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -92.6 -37.92 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.54 110.872 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.466 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 10.8 t80 -68.65 -36.1 78.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 73.42 110.915 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -12.27 59.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 70.12 110.875 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 p -77.5 -10.03 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 63.02 111.124 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.477 ' HB ' HD21 ' A' ' 23' ' ' LEU . 2.7 mp -108.53 128.0 26.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.636 0.731 . . . . 74.14 111.14 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 152.67 69.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 71.31 112.376 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -20.84 57.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 73.43 110.941 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -63.74 -24.88 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 64.43 110.874 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -99.99 -39.54 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 70.23 110.912 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.477 HD21 ' HB ' ' A' ' 18' ' ' ILE . 13.8 mt -69.17 -54.22 16.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 64.21 110.939 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.31 -87.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 60.1 112.487 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -117.98 19.95 13.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 73.25 110.892 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.585 HD12 ' HB3' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -89.08 158.87 17.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 70.54 110.959 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.1 m -136.63 154.41 50.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.106 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.684 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -50.09 -41.53 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 75.23 110.905 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -38.32 87.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 51.0 110.839 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.455 ' HB2' HD23 ' A' ' 26' ' ' LEU . 2.1 mtt -64.43 -46.39 83.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 63.43 110.845 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.847 ' HB3' HD11 ' A' ' 10' ' ' ILE . 58.8 mtp -75.2 -32.22 61.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 64.21 110.915 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.53 -40.95 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 73.21 110.888 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.602 ' OE2' HD13 ' A' ' 97' ' ' LEU . 13.2 pt-20 -81.65 -27.7 33.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 72.4 110.893 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.656 HG23 ' CE2' ' A' ' 101' ' ' PHE . 34.2 mt -72.06 -47.67 53.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 72.45 111.103 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 31' ' ' MET . 21.1 t -73.52 -36.11 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 32.23 111.122 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -64.02 -51.89 62.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 62.12 110.876 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -39.27 94.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.23 110.893 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -46.22 83.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 62.44 110.848 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -66.96 -30.8 71.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 61.31 110.847 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.51 -57.81 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 65.43 110.854 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.54 ' HD2' HD11 ' A' ' 89' ' ' ILE . 9.2 t80 -60.29 -47.78 84.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 71.14 110.892 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.751 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -62.9 -31.05 72.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 63.12 110.91 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.669 ' HA ' HD11 ' A' ' 6' ' ' ILE . 64.9 ttp -66.18 -39.06 89.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 74.51 110.879 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.635 ' O ' HD12 ' A' ' 48' ' ' ILE . 4.6 ptmt -71.32 -36.52 71.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.931 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -63.05 -52.78 61.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 33.03 110.871 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 t -64.03 -25.24 68.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 53.14 110.852 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -28.86 62.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 61.4 110.891 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 44' ' ' LYS . 4.9 mt -83.32 -31.96 8.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 72.1 111.136 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.458 ' N ' HD23 ' A' ' 49' ' ' LEU . 4.3 mt -61.04 -19.51 61.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.872 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.73 -27.58 4.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 44.03 112.469 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -63.24 -173.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 74.04 110.874 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.7 p -135.55 -175.61 4.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 64.22 111.157 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -64.35 -17.97 64.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 74.34 110.849 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.4 -44.55 71.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.879 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -87.87 -32.55 18.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 75.23 110.975 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.556 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.8 tt -50.82 124.29 10.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.878 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.84 -173.18 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 45.32 111.118 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.3 mtm-85 -54.65 -50.11 68.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 71.43 110.835 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.583 ' O ' HG13 ' A' ' 63' ' ' VAL . 4.2 m -60.58 -26.06 66.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 73.55 110.864 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -74.9 -32.64 61.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 72.25 110.878 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.556 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -75.17 -38.45 60.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.828 -179.877 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.63 -38.6 77.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.55 110.896 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 59' ' ' SER . 27.0 m -71.0 -40.13 75.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 75.31 111.129 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -63.71 -42.58 97.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 75.54 110.919 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -37.59 87.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 64.14 110.853 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -74.44 -41.51 60.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 72.4 110.922 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -51.88 67.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.905 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -22.37 61.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 73.33 110.872 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -67.98 -45.78 73.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 73.21 110.876 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.711 HD22 ' CG2' ' A' ' 85' ' ' ILE . 3.5 pp -75.92 -33.45 59.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.93 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.694 ' N ' HD12 ' A' ' 70' ' ' LEU . 18.8 tp10 -71.31 -27.68 63.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 53.31 110.899 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.0 ptm -89.03 -23.22 22.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 73.44 110.867 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HD2' HD11 ' A' ' 122' ' ' LEU . 0.1 OUTLIER -86.35 -12.52 49.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 72.15 110.928 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.5 ' HB2' ' HZ ' ' A' ' 124' ' ' PHE . . . -71.27 -1.93 14.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 64.1 111.06 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 46.84 45.35 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.851 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -179.17 124.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 71.31 110.923 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -79.71 90.8 5.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 71.01 110.869 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 124' ' ' PHE . 2.5 mp -54.54 158.83 3.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.637 0.732 . . . . 72.31 110.884 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -49.2 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.736 2.29 . . . . 62.02 112.328 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.73 169.46 10.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 74.41 111.113 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.7 t -124.56 -32.26 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 75.01 111.153 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.477 ' HB3' HD11 ' A' ' 42' ' ' LEU . 28.1 mt -75.02 71.67 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 72.31 110.938 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.548 ' CA ' HD21 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -136.71 -174.32 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.3 110.894 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.738 ' HD2' HD23 ' A' ' 42' ' ' LEU . 3.6 p90 -159.14 163.61 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 70.23 110.924 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.711 ' CG2' HD22 ' A' ' 70' ' ' LEU . 39.3 pt -101.61 142.54 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.04 111.132 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.17 -25.84 59.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 71.25 110.897 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.82 -7.57 53.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.32 111.145 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -101.24 -20.2 15.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.898 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.54 HD11 ' HD2' ' A' ' 41' ' ' PHE . 18.4 mm -105.42 -32.49 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 72.5 111.131 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.486 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 1.6 mtp-105 -47.2 -60.87 3.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 74.31 110.858 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.0 Cg_endo -69.72 5.12 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.676 2.251 . . . . 71.2 112.346 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.05 -35.4 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 44.05 110.915 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.3 mt -61.5 -112.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 54.12 110.894 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.511 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 4.1 tt0 -139.28 143.28 37.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 74.25 110.941 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.67 -39.87 91.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 53.03 110.875 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -90.3 21.37 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.857 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.602 HD13 ' OE2' ' A' ' 33' ' ' GLU . 8.1 tp -79.69 -23.88 42.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 60.01 110.934 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.7 mtt-85 64.03 164.89 0.12 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.576 0.703 . . . . 74.45 110.863 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 71.84 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.254 . . . . 71.01 112.333 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.51 -31.89 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 64.05 110.882 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.656 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -50.3 -53.87 25.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 74.44 110.887 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.05 -22.44 15.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 63.45 111.095 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.585 ' HB3' HD12 ' A' ' 26' ' ' LEU . 12.3 mptt -95.44 -19.28 20.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 61.12 110.855 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.41 -18.51 23.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 73.15 111.132 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.638 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 6.8 mm -47.18 -51.95 38.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 70.42 111.126 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.75 -20.01 35.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.246 . . . . 74.1 112.334 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.9 m -85.65 -25.47 26.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 64.4 110.895 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.5 HD23 ' N ' ' A' ' 108' ' ' LEU . 2.5 mt -78.88 -32.08 45.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 70.32 110.913 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -82.49 -32.64 28.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.815 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -57.86 -19.68 30.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 62.25 110.879 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.632 HD12 ' CD ' ' A' ' 113' ' ' ARG . 12.0 pt -102.8 -12.66 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 65.33 111.124 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 68.48 54.07 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 52.34 110.902 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.632 ' CD ' HD12 ' A' ' 111' ' ' ILE . 27.3 mtp85 -118.29 -26.76 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.865 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.571 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.6 pp -147.79 175.98 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 72.03 111.141 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.571 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.4 OUTLIER -137.02 170.74 15.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.856 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.49 ' HG2' HG23 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -148.3 126.88 12.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.876 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -113.41 104.02 11.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 72.22 110.902 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.62 102.99 2.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 72.45 110.839 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 5.1 m -118.26 82.03 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.847 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 66.76 -139.71 37.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 70.53 112.474 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 54.2 Cg_endo -69.7 1.74 4.13 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.26 . . . . 60.42 112.335 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.443 HD11 ' HD2' ' A' ' 73' ' ' LYS . 5.4 mt -118.0 177.06 4.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 75.01 110.87 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.0 m -161.72 121.6 2.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 72.34 111.105 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.5 ' HZ ' ' HB2' ' A' ' 74' ' ' ALA . 12.2 m-85 -96.01 167.68 11.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 63.33 110.898 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -150.35 117.41 5.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 64.43 110.933 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -122.37 161.04 45.41 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.636 0.731 . . . . 75.22 110.954 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' PRO . . . . . 0.52 ' HB3' HG22 ' A' ' 6' ' ' ILE . 53.8 Cg_endo -69.67 95.23 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 72.43 112.363 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.787 -0.72 . . . . 65.13 112.528 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.532 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.819 0.343 . . . . 44.4 111.138 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.27 165.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 71.2 110.88 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.471 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -116.58 -22.69 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 72.32 111.171 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.72 HG23 ' HB2' ' A' ' 39' ' ' ASP . 14.1 m -153.31 98.67 2.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.573 0.701 . . . . 65.43 111.09 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.3 Cg_endo -69.82 157.28 60.79 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 73.44 112.317 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 171.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 63.05 110.91 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.84 HD11 ' HB3' ' A' ' 31' ' ' MET . 8.2 pt -121.0 121.85 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 61.31 111.146 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.87 -166.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 72.41 111.153 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.811 ' HA ' HD11 ' A' ' 28' ' ' LEU . 2.9 t70 -64.75 -19.9 66.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.4 110.848 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -82.64 -30.23 29.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 74.23 110.902 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -92.87 -33.99 14.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 74.33 110.869 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.513 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 18.3 t80 -72.1 -35.87 69.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 64.45 110.836 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -67.05 -11.16 56.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 72.43 110.894 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p -76.73 -8.44 57.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 72.3 111.123 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.427 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.0 mp -107.52 129.72 23.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 65.54 111.138 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 148.07 64.12 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.718 2.279 . . . . 62.24 112.323 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -56.51 -24.05 43.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.887 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -62.9 -22.21 66.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.905 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -100.27 -38.23 8.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 62.15 110.887 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.513 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 12.4 mt -70.06 -54.22 14.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 73.32 110.94 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.4 -90.15 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 61.13 112.492 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -114.29 23.17 13.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.824 0.345 . . . . 72.43 110.901 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' HB3' ' A' ' 103' ' ' LYS . 0.2 OUTLIER -97.96 156.27 16.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 73.4 110.911 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 28' ' ' LEU . 4.8 m -135.08 159.48 41.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 41.34 111.145 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.811 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -49.25 -44.49 43.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 64.02 110.914 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.16 -36.49 79.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.862 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.79 ' HA ' HD11 ' A' ' 97' ' ' LEU . 1.5 mmt -64.65 -47.98 76.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 63.23 110.865 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.84 ' HB3' HD11 ' A' ' 10' ' ' ILE . 95.3 mtp -74.93 -31.19 61.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.848 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -59.92 -48.07 83.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 65.13 110.927 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.717 ' OE2' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -75.93 -26.2 56.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 73.02 110.896 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.489 HG23 ' CZ ' ' A' ' 101' ' ' PHE . 34.2 mt -72.68 -52.24 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 74.35 111.151 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 31' ' ' MET . 12.5 t -66.58 -28.13 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 62.24 111.181 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -42.41 64.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.878 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.654 ' HG3' HD23 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -65.11 -58.1 6.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 71.11 110.881 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -41.7 66.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 73.45 110.862 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.72 ' HB2' HG23 ' A' ' 7' ' ' VAL . 45.7 t0 -64.22 -30.9 71.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 63.31 110.855 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -66.31 -49.52 66.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 71.42 110.879 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.55 -50.42 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.702 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -63.19 -29.04 70.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 64.21 110.935 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.471 ' N ' HD11 ' A' ' 6' ' ' ILE . 40.6 ttp -67.41 -40.54 85.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 71.33 110.879 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.568 ' O ' HD12 ' A' ' 48' ' ' ILE . 1.7 ptmm? -70.34 -35.2 73.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 61.21 110.922 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -64.18 -53.14 54.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 71.43 110.929 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -62.03 -27.14 68.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 71.14 110.849 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -29.05 62.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.893 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 44' ' ' LYS . 5.7 mt -79.45 -32.04 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.52 111.114 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.528 HD11 HD21 ' A' ' 82' ' ' LEU . 5.7 mt -64.11 -19.08 65.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 72.14 110.893 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -106.67 -36.5 2.59 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 54.34 112.474 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -178.4 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 71.25 110.913 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.67 HG23 ' H ' ' A' ' 54' ' ' LYS . 14.8 t -125.72 173.74 8.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 60.52 111.165 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -56.42 -25.98 51.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 73.52 110.928 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.67 ' H ' HG23 ' A' ' 52' ' ' THR . 47.0 mtpt -65.31 -42.08 93.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.886 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -82.76 -35.83 26.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 75.21 110.908 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.719 HD21 ' HD2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -49.92 130.05 21.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 73.13 110.922 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.64 -173.61 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 62.52 111.155 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -50.9 -52.68 39.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 55.12 110.898 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.593 ' O ' HG13 ' A' ' 63' ' ' VAL . 4.3 m -55.97 -31.17 62.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 75.23 110.873 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -74.59 -33.68 62.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 65.41 110.883 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.719 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -75.98 -35.86 59.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.89 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.27 -35.63 71.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 62.21 110.867 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 59' ' ' SER . 28.4 m -75.17 -38.86 42.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 63.12 111.093 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.537 HD12 ' HE3' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -65.25 -45.65 83.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 63.53 110.92 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.15 -35.73 80.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 63.11 110.897 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -73.97 -41.59 61.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 61.2 110.851 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.537 ' HE3' HD12 ' A' ' 64' ' ' LEU . 13.6 m0 -60.0 -42.26 93.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.902 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.92 -23.86 58.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.81 -42.75 60.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 71.45 110.867 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.73 HD22 ' CG2' ' A' ' 85' ' ' ILE . 2.8 pp -73.8 -37.96 64.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 64.03 110.906 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.617 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.5 tm-20 -66.75 -34.08 77.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 52.54 110.889 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.1 ptm -88.49 -12.3 43.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.835 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -87.4 -20.28 26.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 72.2 110.91 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.525 ' HB1' ' HB3' ' A' ' 119' ' ' CYS . . . -73.56 -0.4 15.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 74.33 111.153 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 48.1 55.55 8.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.888 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 177.64 129.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 52.43 110.866 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -81.89 90.78 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 74.52 110.896 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.552 HD21 ' CD1' ' A' ' 124' ' ' PHE . 5.6 mp -56.13 159.01 6.4 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.635 0.731 . . . . 65.12 110.914 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -48.43 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.68 2.254 . . . . 61.33 112.381 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.36 160.43 16.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 72.34 111.103 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.1 m -119.24 -10.62 9.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 73.31 111.118 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.528 HD21 HD11 ' A' ' 49' ' ' LEU . 11.7 mt -101.03 74.85 1.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 54.41 110.946 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.04 -174.91 3.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 75.21 110.887 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.702 ' HD2' HD23 ' A' ' 42' ' ' LEU . 4.4 p90 -154.17 160.53 41.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.852 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.73 ' CG2' HD22 ' A' ' 70' ' ' LEU . 29.0 pt -99.97 142.65 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 64.34 111.126 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.39 -21.09 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 74.31 110.903 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -8.25 52.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.41 111.119 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -114.38 0.36 14.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 72.01 110.892 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -123.37 -35.44 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 73.53 111.091 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.52 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 11.4 ttm180 -48.81 -58.48 8.38 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.738 . . . . 71.54 110.9 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.71 6.17 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.728 2.285 . . . . 73.14 112.345 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.25 -27.46 10.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.51 110.862 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.717 HD22 ' OE2' ' A' ' 33' ' ' GLU . 22.2 mt -63.94 -112.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 71.51 110.925 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.446 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 2.4 mt-30 -142.63 125.84 16.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 54.53 110.911 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -63.91 -17.25 63.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 74.14 110.865 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -101.14 -6.91 23.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 75.02 110.839 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.79 HD11 ' HA ' ' A' ' 30' ' ' MET . 12.4 tp -69.61 -18.16 63.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 43.51 110.9 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 65.08 164.51 0.12 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.56 0.695 . . . . 74.15 110.883 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 70.17 1.6 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.704 2.269 . . . . 61.4 112.323 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.42 -23.31 16.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 52.35 110.848 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.489 ' CZ ' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -51.6 -50.92 59.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.907 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.68 -21.95 12.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 51.32 111.08 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.454 ' HB3' HD12 ' A' ' 26' ' ' LEU . 4.3 mptp? -97.78 -20.33 17.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 74.21 110.944 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.36 -17.06 31.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 51.03 111.077 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.635 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 10.7 mm -46.32 -52.41 28.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 51.22 111.132 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.8 Cg_endo -69.79 -28.82 24.64 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.674 2.25 . . . . 74.24 112.352 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.414 ' HB2' ' HE3' ' A' ' 31' ' ' MET . 11.1 m -76.16 -18.12 59.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.903 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.687 HD11 HG22 ' A' ' 35' ' ' VAL . 3.4 mm? -91.5 -35.92 14.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 74.51 110.923 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.42 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 10.5 ptt180 -83.51 -29.45 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 63.24 110.85 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -56.64 -21.21 25.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 63.33 110.84 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 11.5 pt -102.88 -7.86 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.44 111.135 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.27 56.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 75.34 110.853 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.45 ' HG3' HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -118.43 -31.99 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.891 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.578 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.6 pp -146.59 179.72 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 63.43 111.168 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.578 ' N ' HD12 ' A' ' 114' ' ' ILE . 1.1 mtt180 -143.41 172.54 12.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 75.14 110.877 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.35 126.89 15.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.896 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.59 106.39 14.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 51.53 110.894 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.25 102.48 10.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.889 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.525 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 4.8 m -125.35 97.59 5.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 71.1 110.884 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.403 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 57.58 -149.63 32.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 64.12 112.456 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 40.98 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.681 2.254 . . . . 64.23 112.329 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.403 ' H ' ' C ' ' A' ' 120' ' ' GLY . 54.2 mt -150.97 169.45 21.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 64.41 110.864 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -152.98 113.05 3.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 70.14 111.145 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.552 ' CD1' HD21 ' A' ' 78' ' ' LEU . 25.9 m-85 -95.82 163.33 13.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 75.51 110.876 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -150.34 118.06 6.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 71.03 110.939 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -121.28 149.27 51.53 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.683 0.754 . . . . 72.44 110.927 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 89.31 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 42.44 112.378 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 54.31 112.473 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.522 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.82 0.343 . . . . 73.12 111.16 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.62 159.05 9.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.839 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.526 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -117.45 -22.55 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 63.12 111.162 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.545 HG23 ' HB2' ' A' ' 39' ' ' ASP . 11.8 m -153.16 99.21 2.71 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.642 0.734 . . . . 74.02 111.132 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 54.0 Cg_endo -69.74 173.11 11.44 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.244 . . . . 63.31 112.355 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -71.78 161.76 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 75.44 110.922 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.832 HD11 ' HB3' ' A' ' 31' ' ' MET . 17.6 pt -114.93 129.02 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 63.45 111.112 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.443 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -96.61 -171.69 2.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 74.24 111.153 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.744 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -60.19 -21.0 61.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 72.44 110.928 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -72.52 -29.14 63.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 63.52 110.915 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.524 ' O ' HG22 ' A' ' 17' ' ' THR . 5.8 mm-40 -101.46 -45.33 5.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 65.2 110.923 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -55.85 -34.02 65.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 74.51 110.928 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -9.36 58.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 72.2 110.915 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -78.27 -2.4 37.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 72.41 111.127 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.422 HG23 ' HD2' ' A' ' 19' ' ' PRO . 3.4 mp -114.61 132.82 22.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.644 0.735 . . . . 50.14 111.098 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HD2' HG23 ' A' ' 18' ' ' ILE . 53.3 Cg_endo -69.75 150.03 67.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 73.34 112.343 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -58.41 -24.39 59.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.44 110.898 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -63.69 -20.43 65.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 71.34 110.891 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -104.68 -33.71 8.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 26' ' ' LEU . 82.2 mt -60.5 -59.01 6.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 61.45 110.882 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.94 70.6 1.02 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.734 . . . . 32.23 112.495 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 67.06 11.59 8.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 71.23 110.863 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 23' ' ' LEU . 1.9 mt -75.27 159.1 31.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.901 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.72 154.28 45.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 52.23 111.129 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.744 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -49.95 -42.19 48.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.863 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.54 -39.8 85.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 51.33 110.871 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 61.8 mtt -64.05 -46.32 84.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 71.23 110.86 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.832 ' HB3' HD11 ' A' ' 10' ' ' ILE . 49.2 mtt -74.27 -31.81 62.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.858 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -60.46 -42.63 96.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.01 110.923 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.677 ' OE2' HD13 ' A' ' 97' ' ' LEU . 11.1 pt-20 -79.86 -27.88 40.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 64.4 110.873 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.676 HG22 ' HE3' ' A' ' 38' ' ' MET . 46.3 mt -72.94 -45.89 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 53.54 111.127 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 31' ' ' MET . 21.9 t -74.37 -28.69 23.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 71.44 111.133 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -72.24 -52.89 14.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 63.33 110.823 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.447 ' HB2' HD23 ' A' ' 93' ' ' LEU . 4.2 mmtt -62.39 -50.19 72.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 63.05 110.875 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.676 ' HE3' HG22 ' A' ' 34' ' ' ILE . 7.6 ptp -54.63 -38.14 66.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.891 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.545 ' HB2' HG23 ' A' ' 7' ' ' VAL . 48.6 t0 -68.64 -29.25 67.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 74.04 110.834 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.66 -47.95 65.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.445 . . . . 63.24 110.821 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.02 -40.01 87.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.841 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.783 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -72.39 -32.09 66.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 64.13 110.897 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.526 ' N ' HD11 ' A' ' 6' ' ' ILE . 60.0 ttp -67.54 -41.33 84.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.874 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' O ' HD12 ' A' ' 48' ' ' ILE . 18.3 ptpt -71.08 -34.41 71.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 72.35 110.925 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.54 ' CG ' HD23 ' A' ' 82' ' ' LEU . 22.2 tptt -63.8 -53.22 54.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.867 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.523 ' HA ' HD21 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -64.17 -24.93 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 63.53 110.858 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -28.87 62.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 51.15 110.878 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 44' ' ' LYS . 8.0 mt -81.92 -31.8 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.123 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.448 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.5 mt -62.62 -19.65 63.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 52.12 110.935 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -108.64 -35.26 2.46 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.729 . . . . 64.1 112.526 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -53.7 174.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 70.05 110.87 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.52 HG23 ' H ' ' A' ' 55' ' ' GLN . 9.0 t -112.51 167.75 10.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 64.23 111.127 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.93 -23.54 65.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 61.11 110.902 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -75.77 -39.7 56.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 74.3 110.888 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.52 ' H ' HG23 ' A' ' 52' ' ' THR . 8.9 tp-100 -82.58 -31.57 28.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.878 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.735 HD21 ' HD2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -51.64 136.51 26.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 50.1 110.896 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.25 -177.39 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 75.21 111.165 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -60.05 -44.23 94.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 71.43 110.86 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.54 ' O ' HG13 ' A' ' 63' ' ' VAL . 39.2 t -58.4 -34.88 71.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.863 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -73.91 -32.45 63.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 65.12 110.896 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.735 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -74.74 -44.36 50.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 73.51 110.913 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -63.71 -41.76 98.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 73.5 110.904 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 59' ' ' SER . 26.8 m -68.42 -37.12 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 65.12 111.105 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -63.06 -40.58 98.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 53.51 110.897 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.44 -35.62 73.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 65.22 110.831 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -73.75 -45.02 54.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 51.05 110.848 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -61.15 -41.19 96.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.891 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -22.22 58.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 73.54 110.882 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -74.19 -41.27 61.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 61.11 110.896 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.73 HD22 ' CG2' ' A' ' 85' ' ' ILE . 3.0 pp -76.29 -35.88 58.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 70.24 110.934 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.604 ' N ' HD12 ' A' ' 70' ' ' LEU . 6.1 pt-20 -71.12 -26.61 63.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 72.34 110.883 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.8 ptm -89.3 -28.03 20.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 73.03 110.906 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.697 ' HG3' HD11 ' A' ' 122' ' ' LEU . 8.4 ptmm? -81.82 -12.62 58.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 75.4 110.882 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.452 ' HB2' ' HZ ' ' A' ' 124' ' ' PHE . . . -72.52 0.74 9.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 61.55 111.112 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 43.48 38.52 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 73.04 110.881 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -162.56 120.41 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.908 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 -76.97 91.03 3.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 73.45 110.847 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.543 HD21 ' CD1' ' A' ' 124' ' ' PHE . 1.1 mp -58.52 159.52 12.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.585 0.707 . . . . 72.14 110.913 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -49.48 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.694 2.262 . . . . 71.01 112.313 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.625 HG21 ' CG ' ' A' ' 126' ' ' TYR . 13.4 t -95.92 166.88 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 64.04 111.173 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.9 m -120.66 -17.28 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 75.11 111.17 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.54 HD23 ' CG ' ' A' ' 45' ' ' LYS . 9.0 mt -87.92 74.71 8.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 71.12 110.908 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.35 -174.22 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 75.42 110.901 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.783 ' HD2' HD23 ' A' ' 42' ' ' LEU . 3.7 p90 -156.47 163.43 39.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 42.35 110.865 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.73 ' CG2' HD22 ' A' ' 70' ' ' LEU . 47.3 pt -100.77 143.16 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 63.21 111.122 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.66 -26.52 56.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.91 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -6.75 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 60.45 111.133 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.8 -26.89 14.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 75.25 110.892 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.512 HG13 ' CE1' ' A' ' 84' ' ' PHE . 11.9 mm -101.45 -33.7 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 61.33 111.096 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.517 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.3 OUTLIER -48.02 -59.23 6.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.648 0.737 . . . . 75.12 110.921 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.4 Cg_endo -69.83 7.61 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.626 2.218 . . . . 55.54 112.36 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.85 -27.47 8.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 71.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 37' ' ' LYS . 45.6 mt -66.41 -116.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 62.4 110.935 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.492 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.7 tt0 -137.31 143.9 42.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 62.33 110.911 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -65.84 -39.15 90.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.878 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -89.51 21.14 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 64.32 110.882 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.677 HD13 ' OE2' ' A' ' 33' ' ' GLU . 11.2 tp -83.99 -19.32 34.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 71.12 110.909 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.406 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 56.7 mmt-85 61.28 161.36 0.11 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.627 0.727 . . . . 72.23 110.853 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.8 Cg_endo -69.8 69.51 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 61.22 112.324 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.3 p -98.54 -24.47 15.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 73.34 110.865 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.548 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -51.35 -52.52 44.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 75.45 110.898 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.4 -21.64 16.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 65.41 111.103 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -96.35 -21.11 17.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 52.43 110.905 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.92 -21.75 27.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 62.34 111.066 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.647 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.5 mm -46.88 -51.43 39.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.666 0.746 . . . . 74.23 111.165 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.7 Cg_endo -69.8 -22.95 31.16 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.659 2.239 . . . . 73.32 112.36 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.3 m -82.37 -26.41 32.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 64.02 110.902 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.506 HD23 ' N ' ' A' ' 108' ' ' LEU . 2.2 mt -78.98 -39.06 35.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.955 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.07 -29.23 49.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.868 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -56.37 -22.14 29.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.87 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -104.58 -6.66 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 75.4 111.093 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 67.78 56.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.01 110.862 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.06 -30.59 4.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 73.23 110.838 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.561 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.7 pp -144.36 175.41 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 62.12 111.16 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.561 ' N ' HD12 ' A' ' 114' ' ' ILE . 2.0 mtt180 -139.05 175.27 9.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 72.24 110.883 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -155.64 130.69 9.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 63.15 110.911 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.53 119.4 38.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 64.32 110.905 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -86.63 102.89 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 72.25 110.83 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.7 m -126.97 91.17 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 43.22 110.879 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.431 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 61.48 -150.26 44.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 35.41 112.449 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 38.79 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.698 2.266 . . . . 73.55 112.309 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.697 HD11 ' HG3' ' A' ' 73' ' ' LYS . 77.5 mt -146.33 166.1 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.55 110.893 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -153.29 114.32 4.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 73.23 111.16 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.543 ' CD1' HD21 ' A' ' 78' ' ' LEU . 12.8 m-85 -96.35 168.67 10.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 65.41 110.86 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -153.11 117.86 5.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.904 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.625 ' CG ' HG21 ' A' ' 80' ' ' THR . 0.3 OUTLIER -121.46 153.11 58.88 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.688 0.756 . . . . 75.43 110.897 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 88.73 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 71.01 112.346 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 62.51 112.507 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.549 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.843 0.354 . . . . 64.43 111.151 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.53 149.13 43.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.862 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.758 HD11 ' HA ' ' A' ' 43' ' ' MET . 1.0 OUTLIER -100.9 -31.91 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 71.2 111.141 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 7' ' ' VAL . 15.8 m -149.25 100.52 3.38 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.621 0.724 . . . . 75.34 111.139 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.4 Cg_endo -69.79 162.53 41.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 73.34 112.358 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -61.07 173.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 41.33 110.884 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.87 HD11 ' HB3' ' A' ' 31' ' ' MET . 10.7 pt -122.73 122.43 65.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 71.25 111.134 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.05 -167.27 1.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 75.33 111.097 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.798 ' HA ' HD11 ' A' ' 28' ' ' LEU . 2.8 t70 -63.17 -20.67 65.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.904 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.71 -29.83 29.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 64.41 110.832 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.416 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 56.9 mm-40 -91.73 -35.35 14.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 71.34 110.86 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.421 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 9.0 t80 -71.24 -34.88 71.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 75.5 110.917 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -68.48 -10.96 58.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 73.32 110.902 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 p -77.17 -9.48 58.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 72.14 111.167 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.469 ' HB ' HD21 ' A' ' 23' ' ' LEU . 2.8 mp -106.03 129.47 24.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.748 . . . . 75.32 111.145 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 148.61 65.28 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.675 2.25 . . . . 73.1 112.356 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -56.82 -23.92 47.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 62.22 110.878 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -62.9 -22.86 67.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 73.34 110.92 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -99.73 -38.18 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 65.42 110.894 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.469 HD21 ' HB ' ' A' ' 18' ' ' ILE . 13.0 mt -70.51 -52.95 18.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 63.14 110.943 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.66 -89.21 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 74.44 112.476 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -117.42 23.49 11.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.808 0.337 . . . . 61.2 110.854 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.71 165.4 12.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 71.22 110.885 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -143.89 162.17 36.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 73.23 111.102 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.798 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -50.74 -40.91 55.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 63.44 110.947 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.03 -41.7 98.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.851 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.9 mtt -61.88 -44.37 96.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 62.31 110.897 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.87 ' HB3' HD11 ' A' ' 10' ' ' ILE . 76.8 mtp -75.96 -34.2 59.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 43.53 110.919 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -57.92 -40.44 80.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 73.02 110.862 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.757 ' OE1' HD22 ' A' ' 97' ' ' LEU . 12.9 pt-20 -80.84 -35.64 32.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 72.42 110.873 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.699 HG23 ' CE2' ' A' ' 101' ' ' PHE . 50.9 mt -64.66 -46.31 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 75.03 111.119 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.698 HG22 HD11 ' A' ' 108' ' ' LEU . 14.3 t -74.77 -28.64 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.22 111.15 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -72.43 -53.37 12.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 63.24 110.83 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -62.24 -49.77 74.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.89 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.546 ' HA ' HD12 ' A' ' 89' ' ' ILE . 14.9 tpt -54.52 -45.68 73.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 53.25 110.902 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.505 ' HB2' HG23 ' A' ' 7' ' ' VAL . 37.0 t0 -65.13 -29.33 70.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 75.5 110.812 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -64.6 -57.14 9.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 71.24 110.835 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CG ' ' CE2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -58.71 -47.81 83.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 65.11 110.877 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.748 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -62.56 -35.65 80.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 62.33 110.912 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.758 ' HA ' HD11 ' A' ' 6' ' ' ILE . 63.5 ttp -61.92 -37.3 84.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 72.41 110.91 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.475 ' O ' HD12 ' A' ' 48' ' ' ILE . 1.9 tptt -70.99 -48.19 54.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.947 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.457 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -51.45 -52.53 45.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 63.31 110.912 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 t -62.44 -35.38 79.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 74.14 110.857 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -27.3 62.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 72.24 110.845 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.572 HG23 ' OD2' ' A' ' 60' ' ' ASP . 6.6 mt -77.64 -31.11 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.427 . . . . 73.51 111.107 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.643 HD11 HD21 ' A' ' 82' ' ' LEU . 5.4 mt -62.21 -26.43 68.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 63.34 110.936 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -102.69 -32.13 4.91 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.77 -0.728 . . . . 65.3 112.46 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 171.62 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.346 . . . . 74.52 110.886 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.56 HG23 ' H ' ' A' ' 54' ' ' LYS . 15.3 t -118.05 172.13 7.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.32 111.158 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -56.92 -27.02 60.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 74.35 110.842 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.56 ' H ' HG23 ' A' ' 52' ' ' THR . 53.5 mtpt -63.15 -46.77 85.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 71.01 110.868 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.607 ' O ' HG23 ' A' ' 57' ' ' THR . 10.7 mm100 -82.42 -33.35 28.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 75.52 110.933 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.764 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -49.58 122.5 6.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 75.51 110.933 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 55' ' ' GLN . 28.7 p -120.86 -172.43 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 74.41 111.107 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -50.28 -53.75 26.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 71.14 110.879 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.549 ' O ' HG13 ' A' ' 63' ' ' VAL . 10.0 t -56.99 -30.06 63.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 73.2 110.827 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.572 ' OD2' HG23 ' A' ' 48' ' ' ILE . 16.0 t0 -73.7 -37.05 65.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.814 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.764 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -78.12 -36.79 47.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 71.31 110.86 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.62 -40.4 88.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.86 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 59' ' ' SER . 32.0 m -72.48 -43.13 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 73.12 111.084 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.465 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.5 OUTLIER -60.47 -44.95 95.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 70.43 110.934 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -38.55 90.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.814 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -71.19 -46.69 60.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 73.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -43.34 73.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 73.41 110.916 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -72.97 -23.25 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 74.52 110.859 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -73.78 -38.69 64.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 71.31 110.895 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.8 mt -76.47 -35.26 58.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.5 110.897 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -71.2 -27.0 63.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 70.14 110.869 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.7 ptm -89.41 -25.05 21.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 64.32 110.863 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.02 -10.88 51.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 74.54 110.875 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.66 -0.6 13.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 62.31 111.104 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 48.39 30.6 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 74.04 110.841 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.2 tptt 179.72 138.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.02 110.95 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.5 mmt-85 -79.16 96.25 5.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 73.4 110.902 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.469 HD11 ' SG ' ' A' ' 119' ' ' CYS . 4.4 mp -49.1 154.62 1.31 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.567 0.699 . . . . 73.13 110.955 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.64 24.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 74.03 112.348 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.687 HG21 ' CG ' ' A' ' 126' ' ' TYR . 0.7 OUTLIER -124.78 151.72 44.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.34 111.168 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.1 m -107.93 -22.45 12.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 73.04 111.144 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.643 HD21 HD11 ' A' ' 49' ' ' LEU . 28.3 mt -103.4 65.99 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.893 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.545 ' HD2' HG23 ' A' ' 80' ' ' THR . 8.2 p90 -121.86 155.63 34.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 52.32 110.861 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.445 ' CE2' ' CG ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -128.48 176.84 7.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 71.05 110.874 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.587 HD12 ' OG1' ' A' ' 87' ' ' THR . 30.9 pt -118.24 149.29 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 73.23 111.099 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.36 -28.62 69.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 73.24 110.938 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.587 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -67.96 -9.3 44.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 63.43 111.104 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.1 2.71 18.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 73.24 110.848 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 38' ' ' MET . 23.8 mm -124.41 -41.05 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 74.44 111.163 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.484 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -56.75 -60.4 9.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.645 0.736 . . . . 75.01 110.887 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.1 Cg_endo -69.75 19.72 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.729 2.286 . . . . 51.15 112.295 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.475 ' H ' ' C ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -120.73 -26.2 5.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 52.32 110.88 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' A' ' 34' ' ' ILE . 8.8 mt -72.62 -121.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.912 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.486 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 4.2 tt0 -122.48 145.71 48.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 71.31 110.919 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -68.06 -35.91 79.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.867 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -89.2 14.16 11.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 65.11 110.872 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.757 HD22 ' OE1' ' A' ' 33' ' ' GLU . 13.8 tp -77.18 -22.34 52.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.926 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 64.38 163.9 0.12 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 74.33 110.854 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 69.62 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.683 2.255 . . . . 64.44 112.343 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 81.5 p -98.06 -25.45 14.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 60.14 110.872 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.699 ' CE2' HG23 ' A' ' 34' ' ' ILE . 1.2 t80 -50.93 -51.56 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 73.22 110.871 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.0 -22.97 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 74.41 111.067 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -97.87 -19.97 17.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 75.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.82 -18.99 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 54.42 111.069 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.639 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 19.7 mm -46.98 -51.56 39.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.603 0.716 . . . . 72.25 111.151 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.82 -29.81 23.01 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.698 2.265 . . . . 62.13 112.279 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 8.3 m -74.9 -20.14 59.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 71.13 110.872 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.698 HD11 HG22 ' A' ' 35' ' ' VAL . 2.8 mm? -88.47 -41.44 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 72.35 110.927 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.447 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 13.0 ptm180 -77.04 -32.28 56.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 72.55 110.859 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -55.9 -22.74 27.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 62.25 110.878 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 24.8 pt -104.43 -9.1 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 63.23 111.131 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.52 56.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 75.3 110.86 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.8 -36.08 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 73.33 110.882 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.526 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.3 pp -148.21 -179.03 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 73.25 111.143 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.526 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.4 OUTLIER -143.8 176.28 9.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.896 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 124' ' ' PHE . 2.9 pm0 -144.84 133.65 22.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 72.51 110.927 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.79 105.3 13.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 75.53 110.884 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.9 tpp85 -73.24 103.05 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.905 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.469 ' SG ' HD11 ' A' ' 78' ' ' LEU . 15.7 m -117.77 82.24 1.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 41.22 110.873 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 69.08 -139.83 33.21 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 73.54 112.44 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 0.78 5.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 75.25 112.374 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.0 mt -116.0 172.79 6.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 53.13 110.95 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.9 m -152.53 121.9 6.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 65.13 111.168 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 84.1 m-85 -101.53 177.03 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 64.22 110.879 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -152.81 123.92 7.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 72.31 110.924 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.687 ' CG ' HG21 ' A' ' 80' ' ' THR . 3.8 p90 -120.96 159.88 47.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 64.12 110.935 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' ' 126' ' ' TYR . 53.6 Cg_endo -69.81 102.26 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 44.41 112.342 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 71.24 112.482 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.504 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.86 0.362 . . . . 73.34 111.094 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -79.86 173.94 12.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 65.11 110.893 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.506 HD11 ' HB3' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -120.06 -19.75 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 71.33 111.108 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.571 HG23 ' HB2' ' A' ' 39' ' ' ASP . 14.9 m -153.35 103.02 2.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 71.13 111.098 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.9 Cg_endo -69.74 147.89 64.01 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.717 2.278 . . . . 75.51 112.315 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -51.15 167.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.912 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.677 HD11 ' HB3' ' A' ' 31' ' ' MET . 13.1 pt -116.42 133.54 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 72.44 111.169 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.501 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -105.44 -172.85 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.14 111.095 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.678 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -57.29 -21.6 35.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 71.21 110.897 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -68.14 -29.69 68.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 71.45 110.912 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.685 ' O ' HG22 ' A' ' 17' ' ' THR . 11.9 mm-40 -104.42 -47.42 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 52.51 110.897 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -52.92 -33.16 49.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 74.12 110.854 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -21.48 52.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 72.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.685 HG22 ' O ' ' A' ' 14' ' ' GLU . 1.5 t -76.88 -6.58 53.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 71.41 111.175 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.608 HG21 ' HB3' ' A' ' 107' ' ' CYS . 2.3 mt -119.87 94.81 48.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.667 0.746 . . . . 55.31 111.178 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 165.27 31.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 73.43 112.348 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -52.03 -24.4 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 75.42 110.915 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -61.25 -22.16 64.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 65.15 110.874 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -115.37 -32.16 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 64.45 110.925 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.647 ' O ' HD12 ' A' ' 26' ' ' LEU . 54.5 mt -61.19 -57.84 10.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 64.51 110.943 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.52 76.98 0.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 75.23 112.49 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 68.15 12.08 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 61.23 110.859 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.647 HD12 ' O ' ' A' ' 23' ' ' LEU . 2.3 mt -91.64 172.24 8.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 55.44 110.904 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -156.59 163.45 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 51.25 111.121 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.678 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -54.38 -41.51 69.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.925 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -38.31 84.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.883 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.435 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -62.24 -47.23 85.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 61.54 110.862 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.76 ' O ' HG23 ' A' ' 35' ' ' VAL . 13.2 mtm -75.62 -34.49 60.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 74.12 110.909 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -56.44 -42.69 78.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 64.54 110.924 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.614 ' OE1' HD22 ' A' ' 97' ' ' LEU . 8.3 pt-20 -80.32 -35.09 36.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 71.31 110.913 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.56 HG23 ' CE2' ' A' ' 101' ' ' PHE . 33.3 mt -64.54 -46.39 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 64.51 111.126 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.79 HG22 HD11 ' A' ' 108' ' ' LEU . 6.7 t -75.23 -28.46 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 64.32 111.135 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -73.06 -47.89 40.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 51.12 110.896 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.423 ' HB2' HD23 ' A' ' 93' ' ' LEU . 7.9 mptt -66.4 -55.39 16.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 74.15 110.895 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.453 ' SD ' HG21 ' A' ' 7' ' ' VAL . 4.4 ppp? -53.3 -38.62 63.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 63.24 110.861 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.571 ' HB2' HG23 ' A' ' 7' ' ' VAL . 38.4 t0 -69.12 -29.13 67.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.21 110.891 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.42 -51.94 45.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 63.35 110.828 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -63.22 -41.14 99.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 71.01 110.893 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.77 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -71.89 -31.55 66.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 64.13 110.911 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.401 ' N ' HD11 ' A' ' 6' ' ' ILE . 37.0 ttp -65.67 -40.8 92.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 70.35 110.905 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.63 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -73.42 -36.95 66.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 64.4 110.871 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 3.3 mtmt -59.51 -52.68 64.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.894 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.408 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 5.9 t -65.0 -32.99 74.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.843 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -30.16 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.2 110.942 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.672 HD13 HG21 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -83.52 -32.21 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 74.32 111.186 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 5.5 mt -63.65 -16.94 62.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.883 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -108.87 -35.93 2.29 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.777 -0.725 . . . . 65.44 112.479 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.52 174.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 62.14 110.885 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 p -120.87 177.45 5.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 63.52 111.111 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -59.39 -20.83 57.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 61.53 110.87 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -72.14 -31.75 66.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 62.32 110.931 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.706 ' O ' HG23 ' A' ' 57' ' ' THR . 23.5 mp0 -99.78 -25.54 14.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.895 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 56' ' ' LEU . 3.0 tt -51.1 118.96 3.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 74.03 110.975 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 55' ' ' GLN . 41.8 p -124.74 -171.78 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 63.14 111.131 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -50.49 -42.98 55.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.908 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.589 ' O ' HG13 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -65.65 -28.64 69.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 45.32 110.87 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.494 ' OD2' HG23 ' A' ' 48' ' ' ILE . 4.8 t0 -74.48 -34.94 63.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 73.31 110.812 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.444 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -77.75 -35.95 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 71.34 110.875 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -36.92 76.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.0 110.843 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.672 HG21 HD13 ' A' ' 48' ' ' ILE . 32.7 m -75.03 -41.77 45.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 63.52 111.13 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.648 HD13 HG21 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -61.85 -45.58 93.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 62.15 110.963 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.95 -41.81 90.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.884 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -66.68 -46.72 74.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 64.21 110.899 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.68 ' HA ' HD12 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -55.34 -48.45 74.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.943 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -23.88 67.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 62.41 110.923 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -32.55 65.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 73.54 110.923 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.729 HD22 HG23 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -78.03 -40.18 39.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 74.24 110.906 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.81 -28.43 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 70.31 110.866 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.1 ptp -87.14 -22.38 25.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 70.44 110.889 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -83.5 -16.49 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.885 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.782 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -75.75 0.62 17.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 63.52 111.069 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 48.76 34.64 5.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 71.11 110.834 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.81 177.13 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 55.24 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -110.67 95.04 5.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 75.35 110.905 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 124' ' ' PHE . 7.7 mp -51.12 161.54 0.71 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.656 0.741 . . . . 64.34 110.89 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -37.79 8.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 71.12 112.345 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.18 172.04 8.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 60.14 111.182 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.4 m -120.66 -20.38 7.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 74.03 111.099 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.548 ' HB3' HD11 ' A' ' 42' ' ' LEU . 11.9 mt -106.44 75.25 1.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 72.12 110.904 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -133.25 162.99 30.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.865 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.77 ' HD2' HD23 ' A' ' 42' ' ' LEU . 4.8 p90 -139.41 175.2 9.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 71.51 110.913 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.729 HG23 HD22 ' A' ' 70' ' ' LEU . 40.8 pt -106.51 146.45 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 73.14 111.144 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -26.57 57.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 44.41 110.895 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.438 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -75.32 -7.12 53.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 74.32 111.133 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -97.24 -21.35 17.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 71.51 110.85 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.478 HG13 ' CE1' ' A' ' 84' ' ' PHE . 12.0 mm -109.14 -32.08 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 73.43 111.091 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.533 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 2.2 ttp85 -49.54 -58.31 9.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.54 0.686 . . . . 60.15 110.846 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.3 Cg_endo -69.72 4.82 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.692 2.261 . . . . 71.31 112.345 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -32.46 8.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.42 110.881 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.461 HD21 ' HA ' ' A' ' 34' ' ' ILE . 83.1 mt -64.45 -113.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 53.1 110.882 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.508 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.7 tt0 -141.63 145.86 35.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.914 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -69.31 -39.48 78.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 71.21 110.866 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.8 13.47 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 74.52 110.891 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.614 HD22 ' OE1' ' A' ' 33' ' ' GLU . 12.2 tp -77.94 -23.31 48.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.925 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 64.41 164.09 0.12 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.699 . . . . 73.04 110.866 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 70.96 1.57 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.639 2.226 . . . . 74.41 112.359 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.416 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -98.57 -25.49 14.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 63.45 110.847 -179.844 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.56 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -51.38 -50.85 58.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.1 110.843 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.34 -22.03 11.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 62.53 111.06 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -99.43 -19.86 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 75.54 110.923 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.63 -17.77 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.32 111.112 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.642 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 17.2 mm -46.29 -52.12 30.32 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 61.14 111.106 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.3 Cg_endo -69.73 -32.7 18.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.632 2.221 . . . . 73.25 112.383 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.608 ' HB3' HG21 ' A' ' 18' ' ' ILE . 9.0 m -74.0 -17.59 60.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 54.13 110.875 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.79 HD11 HG22 ' A' ' 35' ' ' VAL . 3.3 mm? -92.51 -39.29 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 75.13 110.911 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.43 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 9.4 ptm180 -79.35 -31.22 42.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.913 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -56.72 -21.01 24.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 75.13 110.821 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.556 HG22 HG21 ' A' ' 17' ' ' THR . 15.2 pt -106.46 -7.7 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 75.23 111.123 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 71.57 56.98 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 74.3 110.862 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -116.26 -33.06 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 75.23 110.887 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.6 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.5 pp -149.48 -178.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.124 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.6 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.4 OUTLIER -146.08 174.29 11.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.846 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.29 131.29 23.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 63.14 110.871 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.43 104.61 12.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 53.12 110.906 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.74 101.55 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 70.13 110.852 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.556 ' SG ' HD11 ' A' ' 78' ' ' LEU . 17.5 m -117.35 82.17 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 62.44 110.903 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.418 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 69.67 -139.68 32.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 71.23 112.469 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.418 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 54.3 Cg_endo -69.73 0.72 5.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.248 . . . . 50.02 112.332 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.6 mt -114.01 175.81 5.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 72.01 110.913 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.4 m -157.54 115.78 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 65.34 111.168 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.782 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 64.4 m-85 -97.49 174.13 6.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 65.3 110.837 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -150.7 123.09 8.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 75.33 110.898 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.421 ' HB2' ' HD2' ' A' ' 127' ' ' PRO . 5.3 p90 -121.44 158.32 53.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.641 0.734 . . . . 73.23 110.979 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 126' ' ' TYR . 54.0 Cg_endo -69.76 105.93 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.657 2.238 . . . . 74.14 112.331 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 74.32 112.523 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.838 0.352 . . . . 72.41 111.158 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -64.3 174.15 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 75.04 110.826 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.712 HD13 ' HB3' ' A' ' 42' ' ' LEU . 2.4 mp -121.61 -30.83 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.35 111.126 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.572 HG23 ' HB2' ' A' ' 39' ' ' ASP . 3.6 m -154.26 101.14 2.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.722 . . . . 72.1 111.122 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.8 Cg_endo -69.78 177.97 5.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.638 2.226 . . . . 72.31 112.344 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -75.77 158.56 32.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 63.21 110.919 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.869 HD11 ' HB3' ' A' ' 31' ' ' MET . 13.3 pt -112.61 125.5 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 71.55 111.119 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.48 -169.07 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 72.02 111.15 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.855 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -64.19 -19.94 65.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 75.52 110.897 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -78.99 -29.4 43.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 74.53 110.862 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -96.21 -33.83 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 63.54 110.853 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.508 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 25.3 t80 -71.5 -32.62 68.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 72.21 110.875 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -69.73 -9.14 53.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 72.43 110.926 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 p -76.7 -7.3 55.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 51.2 111.114 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.434 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.5 mp -108.46 130.52 22.66 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.629 0.728 . . . . 74.41 111.16 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 149.21 66.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.252 . . . . 74.01 112.31 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.39 -21.67 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 70.34 110.895 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -65.62 -23.4 66.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 71.44 110.92 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -97.96 -40.7 8.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 75.21 110.92 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.508 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 19.2 mt -64.86 -54.8 25.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 61.14 110.93 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.24 -88.61 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 61.11 112.522 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -116.78 19.36 14.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 73.43 110.846 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.42 160.1 14.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 64.4 110.934 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.22 165.71 26.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.12 111.125 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.855 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -51.16 -41.99 60.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 64.4 110.941 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -39.7 91.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 62.52 110.885 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.2 mtt -62.62 -44.03 97.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.873 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.869 ' HB3' HD11 ' A' ' 10' ' ' ILE . 4.6 mtt -75.4 -37.27 60.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 62.43 110.862 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -56.12 -41.85 75.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 65.43 110.902 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.636 ' OE1' HD22 ' A' ' 97' ' ' LEU . 9.6 pt-20 -79.4 -31.2 42.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.894 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.492 ' HA ' HD21 ' A' ' 93' ' ' LEU . 33.1 mt -68.15 -46.83 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 64.31 111.097 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 31' ' ' MET . 3.8 t -74.35 -28.49 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 73.05 111.14 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -72.44 -53.65 11.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 73.35 110.879 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -61.52 -51.94 66.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 74.35 110.903 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 8.4 ptm -53.71 -41.29 66.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 55.14 110.897 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.572 ' HB2' HG23 ' A' ' 7' ' ' VAL . 38.7 t0 -68.43 -28.88 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 51.33 110.882 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -66.59 -45.4 79.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 65.54 110.849 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.631 ' HD2' HD11 ' A' ' 89' ' ' ILE . 2.7 t80 -67.79 -43.63 79.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.873 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.712 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -71.77 -26.39 62.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.893 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.594 ' HA ' HD11 ' A' ' 6' ' ' ILE . 3.6 tpt -71.46 -42.05 68.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.857 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.428 ' O ' HD12 ' A' ' 48' ' ' ILE . 7.7 ptpp? -72.1 -37.74 69.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 65.53 110.91 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HD3' HD23 ' A' ' 82' ' ' LEU . 1.4 tttt -63.22 -53.51 51.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 62.43 110.899 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 t -61.47 -28.11 69.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 64.3 110.873 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -30.13 66.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 51.22 110.908 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.428 HD12 ' O ' ' A' ' 44' ' ' LYS . 6.5 mt -78.98 -33.07 15.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 62.04 111.119 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 49' ' ' LEU . 6.1 mt -63.34 -16.98 62.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 74.45 110.89 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.67 -28.35 4.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 71.12 112.485 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -174.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 75.22 110.891 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -121.36 -171.93 2.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 65.35 111.138 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.82 -5.77 47.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 53.43 110.873 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -88.69 -39.56 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 72.3 110.908 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -84.28 -27.61 27.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 73.33 110.88 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -50.25 129.1 20.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 64.45 110.937 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.0 p -113.35 -174.0 2.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 53.22 111.161 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.5 ptt85 -59.49 -46.31 89.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.911 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.588 ' O ' HG13 ' A' ' 63' ' ' VAL . 43.1 t -62.97 -27.31 69.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 61.24 110.834 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -73.91 -31.92 63.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 53.53 110.869 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -43.95 43.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 75.04 110.847 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -64.14 -38.28 90.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 64.04 110.898 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 59' ' ' SER . 34.1 m -72.51 -38.62 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 54.22 111.126 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -44.14 97.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.45 110.919 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -32.19 70.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.88 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -75.68 -39.51 57.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 74.42 110.917 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -39.86 93.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 73.54 110.951 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -24.87 55.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.85 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -43.03 66.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 70.24 110.917 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.904 HD22 HG23 ' A' ' 85' ' ' ILE . 1.5 pp -75.57 -33.9 60.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 52.01 110.913 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.01 -33.64 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.919 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.02 -17.52 31.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.848 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.409 ' HB3' HD11 ' A' ' 122' ' ' LEU . 0.9 OUTLIER -84.71 -16.19 42.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 71.42 110.903 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.707 ' HB2' ' HZ ' ' A' ' 124' ' ' PHE . . . -72.4 -0.36 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 62.22 111.135 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 48.32 36.44 6.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 73.3 110.856 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.52 170.51 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.911 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -108.87 92.47 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 63.04 110.858 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.516 HD21 ' CD1' ' A' ' 124' ' ' PHE . 5.6 mp -50.64 162.59 0.54 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.709 . . . . 75.42 110.936 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -42.98 2.87 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 62.44 112.306 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.776 HG21 ' CG ' ' A' ' 126' ' ' TYR . 5.0 t -96.48 164.65 12.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 75.03 111.137 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 81' ' ' THR . 19.0 m -121.39 -8.33 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 55.42 111.101 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.434 HD23 ' HD3' ' A' ' 45' ' ' LYS . 7.7 mt -107.59 76.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 73.04 110.916 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.543 ' HD2' HG23 ' A' ' 80' ' ' THR . 0.2 OUTLIER -135.34 -175.69 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 64.04 110.901 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.676 ' HD2' HD23 ' A' ' 42' ' ' LEU . 3.8 p90 -155.58 165.74 35.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 60.13 110.858 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.904 HG23 HD22 ' A' ' 70' ' ' LEU . 10.1 pt -98.44 151.11 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 73.21 111.101 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.77 -24.24 59.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 64.41 110.912 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.692 ' CG2' HD12 ' A' ' 85' ' ' ILE . 11.0 t -75.07 -8.57 56.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 70.33 111.14 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -105.18 -16.84 14.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 71.3 110.845 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.631 HD11 ' HD2' ' A' ' 41' ' ' PHE . 19.0 mm -106.28 -33.64 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 70.23 111.159 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.506 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 9.4 ttp180 -54.08 -59.02 11.01 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.737 . . . . 71.32 110.917 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.79 4.98 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 71.13 112.326 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -105.41 -24.31 12.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 65.14 110.883 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.492 HD21 ' HA ' ' A' ' 34' ' ' ILE . 83.3 mt -70.12 -108.65 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 60.33 110.918 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.427 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 1.6 mt-30 -135.22 136.18 41.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 61.54 110.884 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.68 -21.11 66.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 65.11 110.855 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -101.3 -4.36 27.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.02 110.907 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.636 HD22 ' OE1' ' A' ' 33' ' ' GLU . 18.5 tp -65.63 -23.39 66.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 63.5 110.918 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 64.08 163.62 0.12 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.557 0.694 . . . . 72.41 110.897 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 70.19 1.61 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.699 2.266 . . . . 65.22 112.338 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.9 p -98.4 -17.42 18.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 64.42 110.847 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.91 -51.16 54.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 72.45 110.908 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.12 -22.61 11.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 70.25 111.098 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.13 -22.05 17.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 71.23 110.902 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.31 -19.71 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 70.14 111.101 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.636 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 13.9 mm -46.84 -51.75 36.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 45.23 111.106 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.77 -25.91 28.06 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 63.02 112.319 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.8 m -80.7 -19.68 44.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 75.2 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.641 HD11 HG22 ' A' ' 35' ' ' VAL . 3.3 mm? -92.14 -32.97 14.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 72.33 110.892 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.462 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 12.0 ptm180 -85.73 -27.78 25.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 74.14 110.877 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -56.03 -21.22 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 75.02 110.849 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.578 HD12 ' CD ' ' A' ' 113' ' ' ARG . 14.1 pt -99.78 -13.08 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 71.34 111.13 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.28 56.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 64.14 110.9 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.578 ' CD ' HD12 ' A' ' 111' ' ' ILE . 21.6 mtp85 -120.98 -33.14 3.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 72.34 110.865 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.584 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.6 pp -140.6 177.94 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.53 111.134 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.584 ' N ' HD12 ' A' ' 114' ' ' ILE . 29.0 mtp180 -144.55 175.62 10.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 60.33 110.84 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.593 ' OE1' HG23 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -148.09 129.41 14.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 64.02 110.895 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -113.13 107.08 15.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 51.21 110.883 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -80.5 102.34 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.34 110.917 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 4.8 m -125.25 94.56 4.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.898 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 59.62 -149.26 40.5 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.758 -0.734 . . . . 71.32 112.505 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 39.97 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.247 . . . . 63.14 112.362 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.421 ' H ' ' C ' ' A' ' 120' ' ' GLY . 43.8 mt -148.73 168.05 23.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 55.12 110.896 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.14 111.38 3.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 74.24 111.176 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.707 ' HZ ' ' HB2' ' A' ' 74' ' ' ALA . 23.2 m-85 -95.18 166.2 12.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 71.31 110.881 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -150.93 117.7 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 73.34 110.89 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.776 ' CG ' HG21 ' A' ' 80' ' ' THR . 1.4 p90 -123.27 157.04 62.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.66 0.743 . . . . 73.33 110.912 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' PRO . . . . . 0.431 ' HB3' HG22 ' A' ' 6' ' ' ILE . 53.1 Cg_endo -69.77 88.93 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.639 2.226 . . . . 74.35 112.328 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 74.11 112.487 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.503 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.816 0.341 . . . . 74.21 111.116 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -88.59 167.36 13.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 63.52 110.818 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.689 HD13 ' HB3' ' A' ' 42' ' ' LEU . 2.5 mp -105.38 -30.33 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 74.51 111.1 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 7' ' ' VAL . 21.7 m -149.39 116.64 3.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.731 . . . . 73.24 111.153 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -167.58 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.665 2.243 . . . . 71.01 112.349 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -92.98 162.9 13.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 72.42 110.916 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.815 HD11 ' HB3' ' A' ' 31' ' ' MET . 18.1 pt -112.39 133.12 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.104 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.494 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -105.41 -170.96 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 74.13 111.123 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.663 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.2 t70 -58.24 -21.69 49.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 75.25 110.893 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.96 -28.9 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 75.33 110.887 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.567 ' O ' HG22 ' A' ' 17' ' ' THR . 3.6 mm-40 -101.64 -45.78 5.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 72.53 110.868 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -55.28 -35.16 64.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 73.53 110.866 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -15.18 62.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.911 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -77.39 -7.73 56.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 61.44 111.174 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.34 124.52 35.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.707 . . . . 71.43 111.086 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 149.39 66.97 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.634 2.223 . . . . 73.32 112.343 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -54.98 -26.35 36.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 75.03 110.885 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -62.79 -20.04 64.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.903 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -105.32 -35.24 7.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 65.43 110.914 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 26' ' ' LEU . 79.5 mt -60.58 -59.6 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.914 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.82 72.05 0.72 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 33.15 112.504 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 mmt-85 67.31 11.43 8.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 73.04 110.891 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' ' 23' ' ' LEU . 4.2 mt -78.67 166.58 22.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.946 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.8 158.99 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.03 111.128 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.663 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -52.78 -41.4 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.906 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.42 -38.15 83.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 70.11 110.919 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.436 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -63.43 -48.67 76.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 73.05 110.897 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.815 ' HB3' HD11 ' A' ' 10' ' ' ILE . 79.9 mtp -74.47 -32.67 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 73.51 110.92 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 36' ' ' SER . 3.3 t30 -58.6 -45.64 88.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.895 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.557 ' OE1' HD22 ' A' ' 97' ' ' LEU . 8.5 pt-20 -78.22 -27.96 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 64.05 110.879 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.568 ' O ' ' HE3' ' A' ' 38' ' ' MET . 30.0 mt -71.65 -44.06 70.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 61.14 111.16 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.907 HG22 HD11 ' A' ' 108' ' ' LEU . 15.9 t -74.1 -35.26 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 63.32 111.156 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 32' ' ' ASN . 3.1 p -71.23 -36.66 71.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.884 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.89 -49.78 19.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.879 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.568 ' HE3' ' O ' ' A' ' 34' ' ' ILE . 12.7 ptp -55.2 -42.87 73.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 72.43 110.871 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.423 ' HB3' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -70.43 -30.64 67.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 62.35 110.887 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -64.02 -49.33 72.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 72.02 110.881 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.546 ' HD2' HD11 ' A' ' 89' ' ' ILE . 9.2 t80 -66.05 -42.94 88.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.892 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.697 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -70.19 -27.7 64.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 61.44 110.91 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.671 ' HA ' HD11 ' A' ' 6' ' ' ILE . 43.4 ttp -70.39 -42.96 71.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.89 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.598 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -70.78 -35.79 72.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 72.04 110.899 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HG2' ' CE2' ' A' ' 67' ' ' TRP . 1.4 tppp? -64.38 -52.61 57.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 73.32 110.915 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 t -62.56 -26.2 68.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 74.42 110.882 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.38 -29.89 62.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.892 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 44' ' ' LYS . 5.4 mt -80.03 -32.06 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 43.4 111.177 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.429 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.8 mt -61.48 -21.1 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 73.44 110.939 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -108.95 -28.64 4.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 54.45 112.495 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -61.99 -174.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 54.44 110.9 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.545 HG21 ' HE3' ' A' ' 54' ' ' LYS . 13.0 t -123.59 168.0 13.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.136 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -56.54 -26.29 54.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 64.13 110.842 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.545 ' HE3' HG21 ' A' ' 52' ' ' THR . 32.1 mtmt -71.45 -38.11 71.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 54.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -84.57 -30.42 25.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.944 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.79 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -50.94 129.4 23.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.42 110.956 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.7 p -112.2 -173.76 2.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 61.14 111.138 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -58.49 -55.98 27.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 74.13 110.87 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.597 ' O ' HG13 ' A' ' 63' ' ' VAL . 20.4 m -53.87 -28.94 39.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 74.4 110.887 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -73.94 -31.34 62.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 74.3 110.858 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.79 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -75.92 -42.56 48.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 51.32 110.854 -179.865 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.89 -38.59 89.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 71.31 110.878 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 59' ' ' SER . 35.0 m -71.46 -40.41 72.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 74.02 111.164 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.425 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -60.64 -44.79 95.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 61.22 110.884 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -38.46 89.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 74.2 110.896 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -73.16 -35.65 66.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.871 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.416 ' CE2' ' HG2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -62.57 -47.29 84.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 71.52 110.951 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -23.87 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 51.43 110.856 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -70.14 -45.23 67.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 72.01 110.89 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.956 HD22 HG23 ' A' ' 85' ' ' ILE . 2.4 pp -74.68 -29.97 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 64.32 110.885 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.506 ' N ' HD12 ' A' ' 70' ' ' LEU . 31.8 tt0 -68.58 -35.85 77.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.867 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.6 ptm -87.99 -15.1 37.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.874 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.54 -14.89 36.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 71.21 110.883 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.649 ' HB2' ' HZ ' ' A' ' 124' ' ' PHE . . . -72.25 -2.16 17.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 74.33 111.09 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 47.25 38.65 7.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 54.34 110.915 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.5 tttp 179.55 172.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 63.15 110.906 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.08 90.41 3.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 70.22 110.901 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.58 HD21 ' CD1' ' A' ' 124' ' ' PHE . 6.2 mp -51.57 160.99 0.9 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.619 0.723 . . . . 72.42 110.918 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -47.14 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.668 2.246 . . . . 65.25 112.361 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.452 HG21 ' CB ' ' A' ' 126' ' ' TYR . 1.5 m -88.14 157.82 18.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 71.3 111.167 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.4 m -115.38 -24.08 8.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 54.41 111.13 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.446 ' HB3' HD11 ' A' ' 42' ' ' LEU . 9.2 mt -95.63 76.18 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 72.02 110.924 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.47 -173.76 3.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.854 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.697 ' HD2' HD23 ' A' ' 42' ' ' LEU . 4.4 p90 -158.12 166.49 32.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 73.13 110.877 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.956 HG23 HD22 ' A' ' 70' ' ' LEU . 35.7 pt -101.62 142.38 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.44 111.169 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.31 -25.44 59.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 73.41 110.935 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -6.58 48.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 64.42 111.109 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -102.51 -16.83 16.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.875 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.546 HD11 ' HD2' ' A' ' 41' ' ' PHE . 13.1 mm -109.69 -38.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 71.12 111.131 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.525 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 3.5 ttp180 -49.07 -58.78 7.75 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.56 0.695 . . . . 74.02 110.843 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.8 4.27 2.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.624 2.216 . . . . 42.11 112.316 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.12 -31.87 8.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 73.5 110.882 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.443 HD13 HD23 ' A' ' 97' ' ' LEU . 81.0 mt -62.93 -111.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 63.42 110.926 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.435 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 1.4 mt-30 -138.73 131.55 29.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 75.35 110.921 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -60.28 -21.61 62.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 71.1 110.886 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -101.75 -2.69 29.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 70.53 110.841 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.557 HD22 ' OE1' ' A' ' 33' ' ' GLU . 18.0 tp -65.11 -19.48 66.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 43.14 110.904 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.472 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 8.8 mmt180 65.69 157.94 0.13 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.619 0.723 . . . . 72.11 110.836 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 54.1 Cg_endo -69.72 69.73 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.685 2.256 . . . . 54.41 112.36 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 m -97.94 -15.07 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 75.32 110.813 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.563 ' CZ ' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -51.04 -51.17 55.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 72.22 110.889 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.68 -21.73 19.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 74.11 111.108 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.89 -18.88 19.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 71.2 110.87 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.65 -17.64 24.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 50.43 111.093 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.622 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.6 mm -45.53 -52.9 21.14 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 64.52 111.138 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.8 Cg_endo -69.76 -30.7 21.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.693 2.262 . . . . 65.44 112.334 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.465 ' HB2' ' HE3' ' A' ' 31' ' ' MET . 7.7 m -73.91 -16.87 61.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 63.1 110.864 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.907 HD11 HG22 ' A' ' 35' ' ' VAL . 3.4 mm? -92.65 -36.34 13.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 75.11 110.957 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.418 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 7.5 ptm180 -86.24 -23.82 26.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 54.23 110.869 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -56.08 -24.03 37.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.04 110.894 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.464 HG22 HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -103.83 -2.72 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.44 111.112 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 68.4 56.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.35 110.861 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -115.83 -31.07 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 73.13 110.915 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.531 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.7 pp -148.49 -179.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 62.11 111.129 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.531 ' N ' HD12 ' A' ' 114' ' ' ILE . 36.2 mtp180 -141.86 174.67 10.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 75.15 110.914 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.95 126.7 13.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 64.31 110.846 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -113.05 104.7 12.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 73.22 110.92 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.32 103.56 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 72.1 110.892 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 10.0 m -119.81 81.63 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 63.21 110.832 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.41 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 69.23 -140.83 34.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 64.02 112.494 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.41 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 53.6 Cg_endo -69.75 2.47 3.49 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 71.13 112.375 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -116.66 176.44 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.903 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.5 m -161.59 120.32 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 52.14 111.123 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.649 ' HZ ' ' HB2' ' A' ' 74' ' ' ALA . 14.5 m-85 -96.67 167.85 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 63.22 110.903 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -151.48 117.17 5.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 64.34 110.901 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.452 ' CB ' HG21 ' A' ' 80' ' ' THR . 0.3 OUTLIER -121.16 145.68 42.57 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.721 0.772 . . . . 74.51 110.888 -179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 127' ' ' PRO . . . . . 0.682 ' HG3' HG21 ' A' ' 6' ' ' ILE . 53.4 Cg_endo -69.78 89.95 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.269 . . . . 71.14 112.318 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 73.43 112.47 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.544 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.865 0.364 . . . . 72.24 111.082 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.58 145.42 28.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 71.12 110.87 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.692 HD13 ' HB3' ' A' ' 42' ' ' LEU . 2.8 mp -94.43 -34.7 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 72.52 111.16 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 7' ' ' VAL . 10.7 m -152.47 100.55 2.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.613 0.72 . . . . 74.44 111.15 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.9 Cg_endo -69.75 169.51 18.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.23 . . . . 71.42 112.334 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -63.33 165.9 7.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 62.31 110.959 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.831 HD11 ' HB3' ' A' ' 31' ' ' MET . 13.1 pt -119.06 121.99 68.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 75.5 111.149 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.75 -171.36 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 73.1 111.117 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.796 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -60.84 -19.64 60.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.884 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -77.86 -28.81 50.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.03 110.871 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.614 ' O ' HG22 ' A' ' 17' ' ' THR . 26.8 mm-40 -98.24 -46.82 5.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 74.51 110.885 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.611 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 21.8 t80 -56.84 -28.89 62.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 71.23 110.878 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -71.59 -8.69 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.935 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 14' ' ' GLU . 1.8 t -76.79 -10.55 59.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 61.33 111.115 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.412 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.2 mp -105.51 130.27 23.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.613 0.721 . . . . 75.12 111.081 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.39 62.81 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.67 2.247 . . . . 64.54 112.373 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -56.33 -24.16 41.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.911 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -63.0 -23.66 67.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 72.22 110.912 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -97.72 -41.0 8.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 74.05 110.927 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.611 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 19.8 mt -64.33 -55.23 22.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 54.53 110.962 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.99 -93.08 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.75 . . . . 33.53 112.459 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -109.61 24.65 12.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 63.21 110.869 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.33 170.96 8.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.897 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -153.31 161.34 42.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.55 111.189 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.796 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -51.14 -42.45 60.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 61.33 110.926 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -41.22 92.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 75.45 110.936 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.8 mtt -62.78 -44.62 95.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 71.32 110.908 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.831 ' HB3' HD11 ' A' ' 10' ' ' ILE . 4.3 mtm -74.89 -33.12 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 71.2 110.901 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -59.46 -41.94 90.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 71.01 110.894 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.747 ' OE2' HD13 ' A' ' 97' ' ' LEU . 10.9 pt-20 -80.28 -29.7 38.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.913 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.532 HG23 ' CZ ' ' A' ' 101' ' ' PHE . 46.9 mt -71.43 -45.79 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 75.35 111.112 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 31' ' ' MET . 20.9 t -74.77 -29.33 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 61.01 111.157 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -73.31 -39.38 65.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.32 110.864 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.562 ' HG3' HD23 ' A' ' 93' ' ' LEU . 0.9 OUTLIER -72.47 -48.62 39.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 65.42 110.916 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.519 ' HE3' ' O ' ' A' ' 34' ' ' ILE . 12.5 ptp -56.66 -42.15 78.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 70.23 110.867 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 38' ' ' MET . 0.0 OUTLIER -68.92 -31.35 70.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.889 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -61.87 -56.38 19.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -47.59 85.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 71.15 110.886 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.771 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -63.93 -29.65 70.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 74.32 110.901 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.638 ' HA ' HD11 ' A' ' 6' ' ' ILE . 12.3 tpt -67.84 -37.94 82.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 63.52 110.859 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.507 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -71.33 -36.51 71.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.892 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 56.8 tttp -64.66 -52.36 57.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 75.54 110.855 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.8 p -62.24 -27.52 69.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.843 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -28.84 62.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 74.22 110.919 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 44' ' ' LYS . 6.9 mt -80.43 -31.74 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 74.44 111.129 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.569 HD11 HD21 ' A' ' 82' ' ' LEU . 5.6 mt -62.86 -22.43 66.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 61.03 110.927 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -104.25 -36.72 3.05 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 73.14 112.455 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 169.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.918 0.39 . . . . 73.54 110.84 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.21 160.53 15.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 50.43 111.148 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -55.9 -25.21 41.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 72.51 110.855 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -75.79 -37.31 59.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 72.11 110.849 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -82.43 -30.18 30.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 62.31 110.957 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.773 HD21 ' HD2' ' A' ' 61' ' ' ARG . 0.7 OUTLIER -51.42 134.29 28.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 72.14 110.924 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.7 t -114.37 175.04 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 62.43 111.158 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -53.32 -49.37 67.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.924 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.588 ' O ' HG13 ' A' ' 63' ' ' VAL . 64.7 m -52.7 -33.51 48.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.898 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -73.74 -31.93 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 74.45 110.925 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.773 ' HD2' HD21 ' A' ' 56' ' ' LEU . 1.2 ttt180 -75.84 -41.55 52.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 53.42 110.898 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.43 -36.93 84.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.861 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 59' ' ' SER . 35.1 m -73.66 -38.48 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 62.21 111.139 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.513 HD12 ' CE3' ' A' ' 67' ' ' TRP . 0.6 OUTLIER -62.0 -47.56 84.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 70.43 110.898 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -33.45 75.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 55.55 110.866 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -74.11 -40.32 62.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.857 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.513 ' CE3' HD12 ' A' ' 64' ' ' LEU . 18.9 m0 -62.06 -48.11 81.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 64.22 110.917 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.83 -23.91 59.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 70.35 110.854 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -69.51 -43.09 73.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.34 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.753 HD22 ' CG2' ' A' ' 85' ' ' ILE . 3.3 pp -76.36 -34.07 58.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 71.51 110.908 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.637 ' N ' HD12 ' A' ' 70' ' ' LEU . 6.7 pt-20 -74.28 -27.18 60.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 65.24 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.1 ptm -88.75 -23.34 22.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 63.32 110.863 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.546 ' HE2' HD11 ' A' ' 122' ' ' LEU . 0.7 OUTLIER -89.34 -12.18 41.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 64.12 110.873 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.67 -0.13 12.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 71.14 111.113 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 48.52 55.01 9.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 71.42 110.884 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.78 124.84 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 64.2 110.9 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -80.72 91.1 5.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 52.5 110.86 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.505 HD21 ' CD1' ' A' ' 124' ' ' PHE . 5.1 mp -65.09 150.73 95.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.616 0.722 . . . . 74.01 110.887 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -48.59 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 71.51 112.384 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.481 HG21 ' CB ' ' A' ' 126' ' ' TYR . 0.2 OUTLIER -76.46 154.84 34.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 63.25 111.138 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.1 m -118.92 -17.91 8.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 72.11 111.156 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.569 HD21 HD11 ' A' ' 49' ' ' LEU . 24.9 mt -100.79 77.29 1.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 45.15 110.893 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.93 -173.84 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.871 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.771 ' HD2' HD23 ' A' ' 42' ' ' LEU . 4.2 p90 -155.05 170.26 22.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.11 110.817 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.753 ' CG2' HD22 ' A' ' 70' ' ' LEU . 42.5 pt -104.39 147.7 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 75.22 111.083 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -29.54 60.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 75.54 110.903 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -6.44 49.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 72.45 111.182 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -101.35 -6.03 24.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 73.33 110.825 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.477 HG13 ' CE1' ' A' ' 84' ' ' PHE . 11.1 mm -123.73 -40.98 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 73.23 111.145 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.508 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 7.9 ttp180 -48.3 -59.73 5.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 74.43 110.852 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.4 Cg_endo -69.76 12.36 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 74.25 112.344 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.431 ' H ' ' C ' ' A' ' 90' ' ' ARG . 0.1 OUTLIER -118.7 -25.85 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 55.23 110.891 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.562 HD23 ' HG3' ' A' ' 37' ' ' LYS . 40.9 mt -65.21 -116.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.443 . . . . 54.42 110.91 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.439 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -134.31 141.66 47.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 75.15 110.872 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -68.91 -25.11 64.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 70.11 110.854 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -100.46 -3.73 30.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 73.41 110.83 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.747 HD13 ' OE2' ' A' ' 33' ' ' GLU . 14.8 tp -65.98 -19.31 65.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 64.43 110.917 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.417 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 23.3 mmm-85 63.51 155.62 0.12 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.709 . . . . 74.34 110.852 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.5 Cg_endo -69.75 70.9 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 72.41 112.302 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.0 p -96.95 -12.8 22.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 70.02 110.893 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.532 ' CZ ' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -51.62 -51.5 55.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 65.22 110.873 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.03 -21.57 12.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 61.23 111.09 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.02 -20.84 17.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 72.24 110.915 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.28 -19.95 29.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 31.31 111.067 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.649 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 12.8 mm -48.87 -51.08 57.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.59 0.709 . . . . 45.44 111.113 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.0 Cg_endo -69.72 -15.93 37.48 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.75 2.3 . . . . 75.42 112.329 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 13.1 m -94.99 -17.32 22.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 60.14 110.936 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.654 HD11 HG22 ' A' ' 35' ' ' VAL . 3.4 mm? -95.25 -22.32 17.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 63.33 110.929 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.459 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 13.0 ptp180 -87.55 -31.56 19.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.845 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -56.4 -21.16 23.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.85 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.585 ' CG2' HG21 ' A' ' 17' ' ' THR . 5.7 pt -101.1 -9.15 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 75.45 111.144 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 69.69 14.39 8.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 72.15 110.902 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.543 ' HB2' HD12 ' A' ' 111' ' ' ILE . 19.7 tpp180 -69.21 -31.58 70.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 71.21 110.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.528 HD12 ' N ' ' A' ' 115' ' ' ARG . 2.4 pp -150.27 -178.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 64.43 111.132 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.528 ' N ' HD12 ' A' ' 114' ' ' ILE . 3.9 mtp85 -144.33 175.22 10.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 75.41 110.877 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.492 ' CD ' HG23 ' A' ' 105' ' ' ILE . 1.2 pm0 -149.55 127.28 11.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.42 110.86 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -113.23 103.94 11.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 63.04 110.909 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.71 102.11 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 72.25 110.856 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 4.9 m -117.18 81.83 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.88 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 66.95 -140.17 37.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 51.24 112.472 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 3.14 2.92 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.697 2.265 . . . . 75.02 112.368 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.546 HD11 ' HE2' ' A' ' 73' ' ' LYS . 8.6 mt -117.0 175.68 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.888 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.6 m -161.23 118.65 2.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 74.14 111.139 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.505 ' CD1' HD21 ' A' ' 78' ' ' LEU . 14.5 m-85 -96.4 168.51 10.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 72.24 110.841 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.411 ' CD2' ' HB3' ' A' ' 116' ' ' GLU . 43.5 m-85 -151.28 118.4 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 73.52 110.941 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.481 ' CB ' HG21 ' A' ' 80' ' ' THR . 0.5 OUTLIER -124.34 149.35 60.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.65 0.738 . . . . 73.42 110.925 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 127' ' ' PRO . . . . . 0.647 ' HG3' HG21 ' A' ' 6' ' ' ILE . 54.4 Cg_endo -69.73 95.43 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 62.53 112.339 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 72.03 112.491 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.53 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.83 0.348 . . . . 75.5 111.107 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.43 163.3 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 71.52 110.856 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.477 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -118.77 -20.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.03 111.162 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.598 HG23 ' HB2' ' A' ' 39' ' ' ASP . 6.1 m -154.28 99.7 2.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.643 0.735 . . . . 45.23 111.101 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 164.17 35.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.24 . . . . 74.22 112.316 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -69.11 170.81 9.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 64.5 110.882 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.843 HD11 ' HB3' ' A' ' 31' ' ' MET . 10.1 pt -121.89 114.5 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 70.33 111.114 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.72 -169.19 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 53.54 111.122 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.891 ' HA ' HD11 ' A' ' 28' ' ' LEU . 25.6 t0 -61.6 -21.94 64.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 71.04 110.855 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -84.2 -26.03 29.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.893 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.609 ' O ' HG22 ' A' ' 17' ' ' THR . 26.2 mm-40 -95.79 -23.58 16.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 65.14 110.909 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.597 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 16.1 t80 -89.01 -25.38 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 71.44 110.869 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -67.37 -9.51 42.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 61.13 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 14' ' ' GLU . 12.4 t -76.86 -19.73 57.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 65.04 111.173 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.554 ' O ' HD11 ' A' ' 23' ' ' LEU . 2.5 mp -103.92 113.66 65.2 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.592 0.71 . . . . 60.44 111.115 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 158.97 55.16 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 70.42 112.349 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -20.8 29.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 65.42 110.896 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -61.8 -20.24 63.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.978 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -111.01 -36.28 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.938 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.597 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 9.3 mt -71.11 -51.87 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.857 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.75 -92.82 0.11 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 74.11 112.474 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -106.89 24.04 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 75.44 110.839 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.432 HD11 ' N ' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -101.74 170.8 7.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 74.52 110.949 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.08 164.08 39.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 43.12 111.166 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.891 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -52.6 -43.26 65.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 71.35 110.945 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.84 -39.28 84.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 71.43 110.845 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.406 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -61.36 -47.52 85.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.878 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.843 ' HB3' HD11 ' A' ' 10' ' ' ILE . 4.9 mtm -75.2 -33.85 61.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 73.12 110.88 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -56.59 -42.04 78.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 73.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.594 ' OE1' HD22 ' A' ' 97' ' ' LEU . 7.1 pt-20 -81.22 -34.24 32.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.901 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.563 ' HA ' HD21 ' A' ' 93' ' ' LEU . 38.0 mt -64.01 -46.39 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 70.21 111.124 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.723 HG22 HD11 ' A' ' 108' ' ' LEU . 15.6 t -75.74 -33.43 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 75.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -67.75 -53.35 27.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.876 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -64.87 -50.75 65.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 55.25 110.921 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.513 ' HA ' HD12 ' A' ' 89' ' ' ILE . 28.5 ttt -52.87 -43.25 65.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.851 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.598 ' HB2' HG23 ' A' ' 7' ' ' VAL . 52.0 t0 -65.96 -29.54 69.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 63.42 110.858 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.12 -52.78 53.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.842 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.424 ' HD2' HD13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -63.24 -43.42 98.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 73.34 110.876 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -68.3 -29.1 67.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 75.31 110.919 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.477 ' N ' HD11 ' A' ' 6' ' ' ILE . 56.5 ttp -69.7 -38.39 76.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 64.32 110.855 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.684 ' O ' HD12 ' A' ' 48' ' ' ILE . 9.1 ptmt -72.24 -38.24 68.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.874 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.443 ' HE3' HD23 ' A' ' 82' ' ' LEU . 19.9 tttp -63.26 -51.71 65.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 54.24 110.916 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.5 p -63.21 -27.79 69.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 64.21 110.846 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -30.03 65.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 72.53 110.921 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 44' ' ' LYS . 3.9 mt -80.19 -32.14 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 64.32 111.16 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.474 ' CD1' HD21 ' A' ' 82' ' ' LEU . 5.8 mt -61.38 -21.61 64.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 55.44 110.916 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -106.46 -33.96 3.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 53.0 112.482 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -174.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 73.21 110.924 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.3 p -129.8 177.74 7.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 41.22 111.155 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.46 -15.08 62.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.52 110.881 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -50.11 17.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.905 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 -84.78 -27.69 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 73.3 110.884 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.715 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.2 tt -56.79 127.92 34.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.918 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.4 -173.69 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 75.1 111.176 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -60.2 -54.3 47.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 63.04 110.919 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.685 ' O ' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -53.5 -30.59 42.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 52.44 110.883 -179.836 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.617 ' OD1' HD11 ' A' ' 48' ' ' ILE . 55.2 m-20 -75.86 -30.7 58.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 70.22 110.926 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.715 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -75.82 -34.6 60.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 64.33 110.856 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 59' ' ' SER . 15.8 pt-20 -75.47 -36.3 60.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.863 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 59' ' ' SER . 27.7 m -70.23 -41.55 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 65.51 111.136 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.834 HD12 ' N ' ' A' ' 65' ' ' ASP . 4.4 pp -71.3 -33.53 69.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.877 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.834 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -69.82 -30.94 68.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.871 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -78.32 -44.86 24.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 72.52 110.863 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -41.26 85.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.927 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -74.11 -30.36 62.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 72.31 110.866 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.68 -41.58 98.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 72.13 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.14 -34.73 56.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.889 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -57.58 -45.67 84.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 72.04 110.87 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -36.34 34.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 72.51 110.879 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -18.47 42.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 52.21 110.881 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.5 1.17 14.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 73.3 111.117 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.6 tpp85 49.15 31.91 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.877 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.4 mttt 179.81 136.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 64.34 110.876 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 85.7 mtm-85 -75.35 101.54 4.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 74.25 110.878 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.504 HD11 ' SG ' ' A' ' 119' ' ' CYS . 2.0 mp -50.52 162.37 0.55 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.573 0.702 . . . . 55.05 110.928 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -7.22 20.52 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.712 2.275 . . . . 74.01 112.349 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.649 HG21 ' HB2' ' A' ' 126' ' ' TYR . 1.3 m -132.3 155.44 48.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 74.21 111.141 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.4 m -107.42 -23.7 12.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 74.21 111.139 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.474 HD21 ' CD1' ' A' ' 49' ' ' LEU . 15.5 mt -104.88 65.53 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 74.13 110.934 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -119.52 153.97 34.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.912 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -125.82 177.72 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 71.25 110.874 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.6 pt -117.13 148.05 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 72.35 111.13 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.49 -25.1 67.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -7.26 51.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 52.21 111.127 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -109.64 -2.02 17.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 70.54 110.871 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 38' ' ' MET . 16.8 mm -123.84 -40.9 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 70.02 111.161 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.593 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -53.55 -55.06 38.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.622 0.725 . . . . 73.55 110.841 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.9 Cg_endo -69.73 1.14 4.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.66 2.24 . . . . 51.12 112.338 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.98 -32.01 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 73.31 110.88 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.563 HD21 ' HA ' ' A' ' 34' ' ' ILE . 87.2 mt -62.15 -104.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 70.25 110.915 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.405 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 1.8 mt-30 -139.94 137.13 34.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.916 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -67.05 -20.75 65.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 65.34 110.875 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.25 -3.63 28.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.834 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.594 HD22 ' OE1' ' A' ' 33' ' ' GLU . 16.7 tp -65.06 -21.71 66.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 70.11 110.943 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? 65.14 164.18 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 73.22 110.907 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 71.67 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 64.35 112.37 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 p -97.74 -22.49 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 75.41 110.871 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -51.37 -49.54 61.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 73.32 110.887 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.33 -22.5 12.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 62.13 111.082 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.46 -20.96 18.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 64.13 110.889 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.432 ' N ' HD11 ' A' ' 26' ' ' LEU . . . -90.88 -13.44 33.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 63.43 111.049 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.633 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.5 mm -45.6 -52.69 22.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 73.41 111.117 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.2 Cg_endo -69.71 -28.83 25.01 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.649 2.233 . . . . 73.51 112.399 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.6 m -77.4 -17.76 57.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.86 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.723 HD11 HG22 ' A' ' 35' ' ' VAL . 2.1 mm? -88.56 -37.0 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.876 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -82.35 -30.28 30.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 71.03 110.911 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -56.92 -21.47 30.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 72.55 110.857 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.58 HG22 HG21 ' A' ' 17' ' ' THR . 13.1 pt -101.09 -9.79 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 74.44 111.093 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 72.03 57.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.1 110.902 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.526 ' CD ' HD12 ' A' ' 111' ' ' ILE . 71.5 mtt-85 -120.78 -38.33 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 55.52 110.882 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.505 HG22 HG11 ' A' ' 7' ' ' VAL . 1.3 pp -148.17 163.44 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 52.02 111.141 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.3 176.69 6.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.15 110.89 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.475 ' OE1' HG23 ' A' ' 105' ' ' ILE . 0.9 OUTLIER -140.22 125.57 18.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 75.31 110.907 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -112.57 108.74 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.906 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -75.87 101.63 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.868 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.504 ' SG ' HD11 ' A' ' 78' ' ' LEU . 30.9 m -115.06 82.13 1.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 75.52 110.893 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 68.9 -141.2 35.82 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 53.23 112.508 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 4.22 2.33 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.662 2.241 . . . . 75.21 112.332 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.6 mt -121.28 175.6 6.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 55.11 110.868 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -153.47 125.6 7.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 62.54 111.126 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.447 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 87.5 m-85 -105.54 168.92 8.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 53.11 110.89 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -150.34 130.54 13.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 74.34 110.93 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.649 ' HB2' HG21 ' A' ' 80' ' ' THR . 4.0 p90 -123.9 154.27 67.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.739 . . . . 65.1 110.953 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 81.6 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.252 . . . . 74.53 112.346 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 54.32 112.531 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.54 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.8 0.333 . . . . 64.2 111.131 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.99 147.4 47.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 75.22 110.907 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.691 HD11 ' HA ' ' A' ' 43' ' ' MET . 1.5 mp -97.06 -32.96 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 61.33 111.131 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.621 HG23 ' HB2' ' A' ' 39' ' ' ASP . 13.5 m -152.56 100.6 2.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.731 . . . . 71.1 111.117 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.9 Cg_endo -69.72 163.05 39.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 72.33 112.349 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -54.14 168.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.91 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.88 HD11 ' HB3' ' A' ' 31' ' ' MET . 16.2 pt -120.86 127.41 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 63.24 111.15 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.04 -171.7 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 73.21 111.158 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.778 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -58.94 -20.68 54.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.838 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -74.37 -28.96 61.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.891 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.555 ' O ' HG22 ' A' ' 17' ' ' THR . 72.9 mm-40 -100.04 -46.32 5.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 63.35 110.893 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -55.39 -34.72 64.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 74.54 110.904 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -9.84 58.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 75.33 110.926 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -77.93 -2.32 36.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 72.14 111.193 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.468 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.2 mp -113.95 130.69 23.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.593 0.711 . . . . 74.43 111.175 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.27 64.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.271 . . . . 62.12 112.343 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -23.32 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 72.02 110.884 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -63.5 -24.18 67.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.925 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -98.38 -37.55 9.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 71.34 110.905 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.468 HD21 ' HB ' ' A' ' 18' ' ' ILE . 14.5 mt -68.62 -48.97 62.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 61.15 110.923 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.82 -85.57 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 53.21 112.478 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -127.43 19.42 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 72.41 110.884 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 100' ' ' SER . 0.2 OUTLIER -86.27 174.79 8.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 63.32 110.921 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -152.14 162.69 40.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 75.33 111.123 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.778 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -51.34 -41.25 60.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 70.11 110.923 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.37 -43.79 96.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 73.32 110.877 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.4 mtt -60.69 -44.23 96.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 60.42 110.91 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.88 ' HB3' HD11 ' A' ' 10' ' ' ILE . 34.8 mtt -74.79 -34.36 62.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 71.42 110.853 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -57.01 -41.12 77.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.894 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.724 ' OE1' HD22 ' A' ' 97' ' ' LEU . 12.7 pt-20 -81.52 -33.16 31.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 52.14 110.865 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.588 HG23 ' CZ ' ' A' ' 101' ' ' PHE . 37.0 mt -66.24 -46.71 86.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 73.1 111.157 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 31' ' ' MET . 18.2 t -75.01 -32.38 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 73.35 111.136 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 t -68.65 -51.93 36.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 73.31 110.9 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.575 ' HG3' HG23 ' A' ' 89' ' ' ILE . 2.5 tppt? -63.29 -47.7 81.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 75.32 110.951 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.836 ' HA ' HD13 ' A' ' 89' ' ' ILE . 27.5 tpp -55.6 -45.95 77.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 60.12 110.888 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.621 ' HB2' HG23 ' A' ' 7' ' ' VAL . 38.6 t0 -66.75 -28.74 68.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 71.43 110.883 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -63.27 -56.09 19.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 63.52 110.882 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.446 ' CG ' ' CE2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -62.35 -43.22 99.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 74.55 110.88 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.635 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -67.35 -27.78 67.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 75.22 110.944 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.691 ' HA ' HD11 ' A' ' 6' ' ' ILE . 57.6 ttp -71.04 -37.87 72.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 75.32 110.916 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.541 ' O ' HD12 ' A' ' 48' ' ' ILE . 2.8 ptmm? -71.64 -38.98 70.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.908 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -64.16 -51.87 61.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 52.43 110.894 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.0 p -61.14 -29.0 69.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 61.12 110.84 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -29.85 63.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 70.41 110.886 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 44' ' ' LYS . 5.9 mt -77.61 -32.2 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 72.14 111.12 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.614 HD11 HD21 ' A' ' 82' ' ' LEU . 5.6 mt -63.54 -20.95 66.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 64.14 110.922 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -104.23 -37.26 2.92 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 61.11 112.475 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -62.13 171.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 75.23 110.894 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.15 170.64 7.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 64.11 111.151 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -58.9 -24.06 61.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 74.53 110.858 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -69.24 -39.44 78.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 61.34 110.944 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -82.41 -32.1 29.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 72.3 110.928 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.72 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -50.81 130.06 24.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 63.53 110.948 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.75 -175.29 2.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 70.03 111.121 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -54.29 -54.87 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 65.4 110.905 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.585 ' O ' HG13 ' A' ' 63' ' ' VAL . 3.9 m -53.83 -33.61 56.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 40.14 110.83 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -74.01 -31.79 63.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.852 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.72 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -76.12 -41.06 51.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 74.12 110.894 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.95 -37.5 84.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.25 110.867 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 59' ' ' SER . 34.1 m -72.87 -39.02 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 74.5 111.136 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.22 -45.3 93.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 71.15 110.918 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -36.11 81.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 72.22 110.85 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -71.38 -49.38 42.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 72.45 110.862 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.473 ' HA ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -54.94 -41.61 71.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.921 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -25.27 61.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 70.24 110.82 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.92 -35.81 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 65.11 110.893 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 67' ' ' TRP . 2.2 mt -76.16 -37.63 57.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 72.41 110.956 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -69.9 -29.34 66.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 54.11 110.904 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.3 ptm -89.18 -16.81 30.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 73.25 110.853 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -96.57 -7.94 33.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.906 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.54 -0.19 14.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 74.51 111.147 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 49.53 27.56 2.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.876 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -179.44 121.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 75.24 110.893 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -62.06 97.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.897 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.596 HD11 ' SG ' ' A' ' 119' ' ' CYS . 4.1 mp -49.8 154.8 1.66 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.648 0.737 . . . . 72.22 110.885 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -7.7 21.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.253 . . . . 51.15 112.363 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.739 HG21 ' CD1' ' A' ' 126' ' ' TYR . 1.7 t -126.8 159.15 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.35 111.169 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.405 HG23 ' HH2' ' A' ' 67' ' ' TRP . 6.6 m -114.12 -23.49 9.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 73.21 111.162 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.614 HD21 HD11 ' A' ' 49' ' ' LEU . 11.6 mt -102.92 67.46 0.96 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 50.42 110.894 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.63 ' HD2' HG23 ' A' ' 80' ' ' THR . 8.8 p90 -122.46 154.75 37.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.861 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -128.38 175.61 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 63.43 110.888 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.485 HD12 ' OG1' ' A' ' 87' ' ' THR . 14.6 pt -113.53 152.32 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 75.44 111.165 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -76.02 -23.43 55.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 75.01 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.485 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -73.13 -5.4 38.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.22 111.118 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -112.9 -2.53 14.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 62.12 110.868 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.836 HD13 ' HA ' ' A' ' 38' ' ' MET . 43.9 mt -125.71 -39.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 70.55 111.149 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.588 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -49.7 -54.8 27.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.72 . . . . 70.45 110.867 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.8 0.02 6.28 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.717 2.278 . . . . 71.54 112.337 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.76 -29.84 11.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.897 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.408 HD23 ' CB ' ' A' ' 37' ' ' LYS . 25.8 mt -57.55 -101.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 75.21 110.898 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.519 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.9 tt0 -142.92 144.8 32.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 64.13 110.871 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -67.64 -39.94 84.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.883 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.09 18.03 4.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 73.51 110.892 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.724 HD22 ' OE1' ' A' ' 33' ' ' GLU . 13.2 tp -79.15 -24.49 43.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.871 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 64.34 164.71 0.12 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.665 0.745 . . . . 73.21 110.821 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 67.36 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.651 2.234 . . . . 73.04 112.379 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.462 ' HB2' HD21 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -99.21 -27.15 13.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 61.01 110.891 -179.847 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.588 ' CZ ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -50.27 -54.07 23.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 45.33 110.866 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.31 -22.69 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 63.24 111.059 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -95.8 -18.95 20.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 54.04 110.883 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -90.03 -20.91 22.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 61.45 111.072 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.634 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.8 mm -46.6 -52.8 28.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.637 0.732 . . . . 74.24 111.162 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.71 -19.39 36.4 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.738 2.292 . . . . 42.34 112.329 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.401 ' O ' HG23 ' A' ' 111' ' ' ILE . 34.0 m -83.24 -33.88 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 51.45 110.919 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.514 HD23 ' N ' ' A' ' 108' ' ' LEU . 3.2 mt -70.73 -53.88 13.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 64.45 110.932 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -60.61 -31.0 70.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.82 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -59.05 -20.59 54.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.87 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.486 HG22 ' CG2' ' A' ' 17' ' ' THR . 0.2 OUTLIER -101.46 -3.47 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 55.51 111.133 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 68.26 49.52 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 72.12 110.88 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -109.76 -40.62 4.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 62.44 110.831 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.3 pp -148.47 -177.78 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 54.41 111.164 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.432 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.2 OUTLIER -137.32 171.12 14.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 63.35 110.883 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.96 130.18 29.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 64.41 110.932 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.22 105.67 14.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 72.32 110.908 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -75.3 103.32 5.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 65.44 110.831 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.596 ' SG ' HD11 ' A' ' 78' ' ' LEU . 35.0 m -117.8 81.96 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.9 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 70.6 -140.88 32.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 72.22 112.467 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 2.23 3.7 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.663 2.242 . . . . 53.35 112.334 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 34.6 mt -117.68 170.89 8.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 65.43 110.904 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.23 120.14 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 53.11 111.131 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.464 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 96.3 m-85 -100.57 172.61 7.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 71.23 110.868 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -152.65 127.91 9.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.495 . . . . 72.04 110.955 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.739 ' CD1' HG21 ' A' ' 80' ' ' THR . 7.3 p90 -126.06 155.83 72.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 73.54 110.949 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' PRO . . . . . 0.669 ' O ' ' C ' ' A' ' 128' ' ' GLY . 53.9 Cg_endo -69.76 112.24 3.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.266 . . . . 74.35 112.32 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLY . . . . . 0.669 ' C ' ' O ' ' A' ' 127' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 43.21 112.513 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.539 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.845 0.355 . . . . 51.21 111.085 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.33 145.51 43.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 62.3 110.915 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.765 HD13 ' HB3' ' A' ' 42' ' ' LEU . 3.0 mp -92.8 -36.63 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 65.54 111.148 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 7' ' ' VAL . 4.9 m -154.47 99.52 2.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 74.3 111.113 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.7 Cg_endo -69.84 173.92 10.34 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 75.1 112.343 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -51.59 156.24 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 53.15 110.938 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.801 HD11 ' HB3' ' A' ' 31' ' ' MET . 1.1 pt -119.21 112.02 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 65.21 111.133 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.48 -171.69 1.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 52.45 111.161 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.805 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -59.53 -23.26 62.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 74.15 110.866 179.891 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -53.02 -30.47 35.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.35 110.884 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.691 ' O ' HG22 ' A' ' 17' ' ' THR . 8.1 mm-40 -102.06 -42.25 6.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 72.21 110.883 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.511 ' CE2' HD13 ' A' ' 23' ' ' LEU . 18.4 t80 -61.97 -23.68 66.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 75.22 110.85 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -72.94 -28.06 62.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.868 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.691 HG22 ' O ' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -77.82 -3.39 41.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 71.35 111.124 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.448 ' O ' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -127.1 88.62 53.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.728 . . . . 74.3 111.133 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -175.76 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.715 2.277 . . . . 75.12 112.335 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -55.22 -23.5 22.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 72.3 110.888 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -68.72 -16.44 63.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 63.33 110.931 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -112.56 -41.12 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 74.5 110.9 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.511 HD13 ' CE2' ' A' ' 15' ' ' PHE . 5.0 mt -79.98 -48.28 13.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 73.24 110.904 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.48 -60.82 4.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 50.54 112.516 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -148.62 15.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 74.45 110.915 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.456 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 0.2 OUTLIER -93.42 175.35 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 71.23 110.924 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.12 163.35 37.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 74.04 111.125 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.805 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -50.03 -42.37 49.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 73.21 110.9 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -41.47 93.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 53.42 110.889 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.434 ' HB2' HD23 ' A' ' 26' ' ' LEU . 17.4 mmt -63.27 -41.66 99.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 72.33 110.871 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.801 ' HB3' HD11 ' A' ' 10' ' ' ILE . 87.6 mtp -75.17 -37.55 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 63.43 110.915 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -57.04 -42.07 79.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 64.22 110.911 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.699 ' CD ' HD13 ' A' ' 97' ' ' LEU . 7.8 pt-20 -79.26 -27.54 42.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.886 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.551 HG22 ' CE ' ' A' ' 38' ' ' MET . 33.8 mt -73.97 -45.46 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 54.1 111.155 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 31' ' ' MET . 7.8 t -73.77 -28.28 24.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 74.01 111.087 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -73.94 -42.83 59.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 61.1 110.863 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -68.48 -49.14 61.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 72.35 110.905 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.551 ' CE ' HG22 ' A' ' 34' ' ' ILE . 19.3 ptp -58.58 -38.92 78.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 72.32 110.914 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -68.39 -29.78 68.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 70.43 110.903 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.37 -51.87 46.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.917 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.642 ' CD2' HD11 ' A' ' 89' ' ' ILE . 3.4 t80 -61.94 -46.05 91.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.846 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.768 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -65.82 -35.31 80.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.882 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.637 ' HA ' HD11 ' A' ' 6' ' ' ILE . 51.4 ttp -62.76 -39.45 94.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 71.41 110.862 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.542 ' O ' HD12 ' A' ' 48' ' ' ILE . 5.9 ptmt -70.37 -35.26 73.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.891 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -62.55 -53.96 46.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.87 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -62.67 -26.31 68.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 71.02 110.827 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -29.07 62.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.893 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 44' ' ' LYS . 5.9 mt -80.02 -32.64 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 62.41 111.126 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.445 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.9 mt -62.04 -19.54 63.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 75.13 110.905 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.4 -26.03 5.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 40.11 112.467 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -174.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 74.12 110.921 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.0 p -133.89 173.55 11.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 75.43 111.194 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -56.0 -24.78 41.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 53.14 110.91 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -66.31 -38.13 87.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 75.3 110.886 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.521 ' O ' HG23 ' A' ' 57' ' ' THR . 5.8 tp-100 -90.78 -33.99 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 61.52 110.914 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.68 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.1 tt -50.11 128.84 19.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 42.02 110.925 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 55' ' ' GLN . 26.7 p -124.96 -172.86 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.44 111.181 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -52.78 -53.31 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 75.31 110.828 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.601 ' O ' HG13 ' A' ' 63' ' ' VAL . 3.5 m -56.1 -29.62 60.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 71.22 110.898 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -74.59 -33.35 62.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 62.53 110.837 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.68 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -75.92 -36.55 59.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 60.22 110.887 -179.851 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.88 -36.59 72.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 71.34 110.856 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.601 HG13 ' O ' ' A' ' 59' ' ' SER . 29.6 m -73.79 -39.55 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 52.55 111.088 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.471 HD12 ' HE3' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -64.72 -44.95 88.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.909 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.49 -35.12 79.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 73.54 110.867 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -74.73 -43.15 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 75.45 110.851 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.491 ' HA ' HD21 ' A' ' 70' ' ' LEU . 7.5 m0 -58.44 -41.37 84.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.978 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.419 ' O ' ' HE3' ' A' ' 72' ' ' MET . 1.9 ptm180 -76.25 -24.35 54.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 71.44 110.884 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -42.01 60.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.896 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.842 HD22 HG23 ' A' ' 85' ' ' ILE . 1.6 pp -73.76 -41.3 62.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 64.34 110.889 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.515 ' N ' HD12 ' A' ' 70' ' ' LEU . 15.5 pt-20 -65.58 -31.51 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.896 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.419 ' HE3' ' O ' ' A' ' 68' ' ' ARG . 6.7 ptp -88.73 -22.59 23.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.892 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.47 ' HB3' HD11 ' A' ' 122' ' ' LEU . 0.6 OUTLIER -75.51 -22.52 57.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 65.1 110.919 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -74.12 -0.35 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 52.14 111.123 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 43.24 37.01 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 71.42 110.845 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -158.42 132.2 7.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.84 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.2 91.97 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 72.14 110.859 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.543 HD21 ' CD1' ' A' ' 124' ' ' PHE . 5.1 mp -59.37 160.37 13.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 73.44 110.91 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.38 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 63.42 112.382 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.58 159.73 16.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 70.21 111.112 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 81' ' ' THR . 18.1 m -118.82 -8.56 10.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 64.31 111.133 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 mt -103.59 74.49 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.936 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.89 -175.4 3.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 75.35 110.901 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.768 ' HD2' HD23 ' A' ' 42' ' ' LEU . 2.2 p90 -152.25 171.83 17.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.879 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.842 HG23 HD22 ' A' ' 70' ' ' LEU . 45.7 pt -108.07 143.42 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 75.43 111.095 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.97 -25.55 58.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 71.23 110.923 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.39 -8.29 55.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 75.21 111.137 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -112.44 -2.83 14.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.883 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.642 HD11 ' CD2' ' A' ' 41' ' ' PHE . 40.8 mm -123.2 -8.0 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 74.41 111.142 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.526 ' H ' ' HD2' ' A' ' 91' ' ' PRO . 17.1 ttt-85 -86.52 -60.81 0.26 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.605 0.717 . . . . 74.42 110.873 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.526 ' HD2' ' H ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.81 22.64 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.648 2.232 . . . . 72.41 112.331 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' MET . . . . . 0.49 ' H ' ' C ' ' A' ' 90' ' ' ARG . 12.1 ptm -122.68 -26.56 4.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 72.55 110.872 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.424 ' CB ' HD23 ' A' ' 97' ' ' LEU . 1.8 mt -67.0 -129.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 70.15 110.914 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.479 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 23.7 mp0 -114.39 157.21 23.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 70.33 110.917 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -77.74 -20.81 52.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.846 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.89 -8.67 23.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 71.03 110.872 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.699 HD13 ' CD ' ' A' ' 33' ' ' GLU . 22.6 tp -65.49 -31.06 71.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.54 110.887 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 61.7 162.5 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 64.23 110.852 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 70.76 1.56 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.703 2.269 . . . . 75.43 112.322 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 m -94.31 -15.99 23.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 73.01 110.826 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.19 -53.52 34.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 63.35 110.892 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.05 -23.78 8.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 42.22 111.081 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -94.19 -22.95 18.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 74.23 110.928 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.456 ' HB2' ' CD2' ' A' ' 26' ' ' LEU . . . -91.77 -9.14 44.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 70.34 111.105 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.649 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.0 mm -49.14 -50.93 60.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.634 0.731 . . . . 75.05 111.129 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.73 -33.27 17.03 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.728 2.286 . . . . 65.31 112.332 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.0 -8.47 58.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 51.02 110.861 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.467 HD11 HG22 ' A' ' 35' ' ' VAL . 1.6 mm? -101.2 -27.95 12.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.914 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 19.8 ptt180 -91.36 -32.12 15.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 64.14 110.876 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -56.87 -21.27 28.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.854 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.664 HG22 HG21 ' A' ' 17' ' ' THR . 20.7 pt -96.61 -11.4 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 52.24 111.131 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.4 53.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 75.44 110.901 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -117.52 -28.91 5.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.875 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.563 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.6 pp -147.67 179.01 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.01 111.177 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.563 ' N ' HD12 ' A' ' 114' ' ' ILE . 31.4 mtp85 -141.36 169.77 16.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 73.51 110.913 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.71 129.21 16.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.53 110.93 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -114.86 106.62 14.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 71.23 110.888 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.88 101.9 10.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.876 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 4.2 m -125.69 97.15 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 75.14 110.936 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 57.33 -149.64 31.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 74.3 112.486 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 41.58 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.707 2.271 . . . . 73.15 112.33 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.47 HD11 ' HB3' ' A' ' 73' ' ' LYS . 62.2 mt -150.29 167.53 26.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 71.2 110.887 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.76 111.56 4.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 70.05 111.14 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.543 ' CD1' HD21 ' A' ' 78' ' ' LEU . 26.1 m-85 -95.71 162.89 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 73.31 110.92 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -150.55 118.27 6.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 73.22 110.871 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.05 157.98 59.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.688 0.756 . . . . 72.13 110.902 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 97.7 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 73.01 112.351 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 73.05 112.545 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.515 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.81 0.338 . . . . 74.03 111.158 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptp85 -71.06 177.47 3.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 55.34 110.858 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.505 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -121.35 -17.12 5.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 71.22 111.163 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.584 HG23 ' HB3' ' A' ' 39' ' ' ASP . 16.6 m -153.53 106.14 2.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.678 0.751 . . . . 71.52 111.144 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 179.6 3.58 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.625 2.217 . . . . 61.45 112.381 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.86 164.36 26.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 71.44 110.878 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.829 HD11 ' HB3' ' A' ' 31' ' ' MET . 13.0 pt -118.24 126.76 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 73.32 111.151 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.475 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -98.61 -170.82 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.23 111.127 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.683 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -57.39 -21.64 37.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.858 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -70.36 -29.37 66.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 74.04 110.933 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.416 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 14.6 mm-40 -101.88 -46.0 5.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 74.2 110.888 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.45 ' HA ' HD12 ' A' ' 18' ' ' ILE . 18.1 t80 -55.42 -34.27 64.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 74.42 110.845 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -21.66 49.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.864 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 p -76.72 -10.3 59.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 72.53 111.15 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.593 ' O ' HD11 ' A' ' 23' ' ' LEU . 2.5 mt -113.7 100.02 51.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 73.22 111.128 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 167.14 25.32 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.708 2.272 . . . . 72.01 112.371 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -56.53 -20.27 19.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.87 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -61.6 -17.51 55.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 70.21 110.925 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -117.25 -36.89 3.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.12 110.903 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.593 HD11 ' O ' ' A' ' 18' ' ' ILE . 9.3 mt -68.73 -49.35 59.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 63.23 110.887 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.25 -80.38 0.62 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.752 -0.737 . . . . 43.04 112.499 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.9 mtm-85 -128.56 11.19 6.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 74.23 110.891 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.473 ' O ' HG23 ' A' ' 27' ' ' THR . 0.4 OUTLIER -89.77 -179.54 5.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.952 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 26' ' ' LEU . 1.8 p -157.61 167.61 29.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 74.42 111.128 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.683 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -50.14 -42.14 50.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 72.2 110.93 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.72 -42.68 97.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 71.31 110.859 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.6 mtt -63.49 -39.93 95.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 63.33 110.883 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.829 ' HB3' HD11 ' A' ' 10' ' ' ILE . 65.9 mtp -74.2 -39.11 63.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.901 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -57.44 -43.9 84.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 61.53 110.907 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.625 ' CD ' HD22 ' A' ' 97' ' ' LEU . 16.5 pt-20 -75.24 -27.38 59.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.881 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.037 HD11 HD11 ' A' ' 97' ' ' LEU . 33.5 mt -72.88 -50.47 32.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 75.14 111.091 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.776 HG22 HD11 ' A' ' 108' ' ' LEU . 4.8 t -67.5 -27.84 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.23 111.13 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.07 -45.56 56.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.808 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -44.77 69.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 71.1 110.899 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.561 ' HE2' ' HA ' ' A' ' 35' ' ' VAL . 39.0 mtm -58.14 -52.61 64.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 74.03 110.861 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.584 ' HB3' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -62.16 -32.4 73.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 64.33 110.863 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.95 -52.02 67.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 63.44 110.886 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.73 -49.84 71.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 63.41 110.883 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.74 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -62.52 -32.05 72.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 64.41 110.89 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.467 ' N ' HD11 ' A' ' 6' ' ' ILE . 45.6 ttp -66.89 -37.63 84.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 75.23 110.884 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -69.7 -36.12 75.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.89 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 1.1 ttmp? -65.07 -54.19 33.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 73.42 110.845 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.7 p -60.5 -27.35 67.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 74.14 110.825 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -29.04 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.894 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' ' 44' ' ' LYS . 8.2 mt -80.24 -31.54 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 63.43 111.125 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.45 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.7 mt -63.21 -22.53 66.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 71.14 110.954 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -102.07 -37.47 3.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 14.4 112.479 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.67 165.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 72.41 110.923 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.4 168.98 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 61.11 111.133 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -65.56 -20.53 66.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 74.4 110.897 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -75.01 -41.47 59.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 73.03 110.906 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -85.53 -32.2 22.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 75.14 110.901 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.711 HD21 ' HD2' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -53.86 139.98 31.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 53.33 110.925 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.4 p -115.62 -174.05 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 72.24 111.149 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -64.95 -37.51 87.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 72.25 110.894 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.498 ' O ' HG13 ' A' ' 63' ' ' VAL . 5.3 m -57.57 -36.81 72.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.888 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -72.26 -32.28 66.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 74.24 110.843 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.711 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -77.6 -38.92 47.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 73.23 110.886 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -67.11 -37.6 84.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.846 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 59' ' ' SER . 31.3 m -73.87 -40.65 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 72.13 111.175 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.418 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -60.17 -43.57 95.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 73.32 110.913 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -35.42 74.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.899 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -72.74 -40.92 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.898 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.409 ' HA ' HD21 ' A' ' 70' ' ' LEU . 19.8 m0 -65.26 -36.44 84.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 75.3 110.904 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -25.84 57.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 72.21 110.856 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -40.55 62.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.86 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.685 HD22 ' CG2' ' A' ' 85' ' ' ILE . 3.5 pp -75.28 -31.94 60.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 72.15 110.899 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.616 ' N ' HD12 ' A' ' 70' ' ' LEU . 4.4 pt-20 -72.27 -32.88 67.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 75.33 110.861 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.9 ptp -89.25 -13.07 38.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.852 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -91.26 -19.0 23.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 62.02 110.905 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.456 ' HA ' HD12 ' A' ' 122' ' ' LEU . . . -73.49 -2.73 23.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 53.11 111.088 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 45.87 56.66 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.902 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -159.83 150.19 18.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 72.53 110.927 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -93.76 97.27 10.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 73.52 110.849 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.553 HD21 ' CD1' ' A' ' 124' ' ' PHE . 10.7 mp -95.83 107.77 36.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 73.31 110.945 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 78' ' ' LEU . 54.2 Cg_endo -69.74 57.73 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.722 2.281 . . . . 73.23 112.374 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.95 155.41 13.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 41.34 111.135 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 81' ' ' THR . 3.6 m -134.44 29.06 3.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 73.5 111.09 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.618 ' O ' HD11 ' A' ' 42' ' ' LEU . 13.0 mt -139.2 57.77 1.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 74.05 110.916 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -133.01 175.03 9.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 71.21 110.862 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.74 ' HD2' HD23 ' A' ' 42' ' ' LEU . 4.4 p90 -144.47 167.93 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 75.54 110.872 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.685 ' CG2' HD22 ' A' ' 70' ' ' LEU . 46.1 pt -104.84 144.38 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 64.15 111.147 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.78 -25.5 55.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.876 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.436 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -75.58 -7.47 54.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.51 111.161 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.49 -30.43 12.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.833 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.501 HG13 ' CE1' ' A' ' 84' ' ' PHE . 12.4 mm -99.09 -26.19 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 74.32 111.182 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.521 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 1.1 ttp180 -49.21 -58.16 9.6 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.572 0.701 . . . . 72.23 110.871 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.76 4.33 2.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.653 2.235 . . . . 72.51 112.339 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.2 -36.13 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 70.34 110.853 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.704 ' HB3' HD23 ' A' ' 97' ' ' LEU . 97.5 mt -66.93 -115.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 74.23 110.912 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -142.86 149.57 38.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 63.34 110.925 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.21 -54.89 29.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.889 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -72.3 -8.25 53.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 55.44 110.802 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.037 HD11 HD11 ' A' ' 34' ' ' ILE . 15.1 tp -94.65 -15.75 23.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 72.44 110.918 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.509 ' N ' ' HD2' ' A' ' 99' ' ' PRO . 8.3 mtp180 -51.02 -58.91 8.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 64.3 110.868 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 98' ' ' ARG . 53.2 Cg_endo -69.81 -5.22 15.71 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.648 2.232 . . . . 75.25 112.301 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.748 ' HB2' HD12 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -89.02 -17.16 29.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 65.53 110.829 -179.819 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -54.92 27.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.883 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.54 -23.79 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 70.13 111.094 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -94.14 -22.33 18.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.04 110.911 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.21 -21.44 29.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 71.33 111.115 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.632 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.1 mm -47.94 -51.87 44.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 41.33 111.14 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.73 -29.74 23.55 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.713 2.275 . . . . 63.12 112.347 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.467 ' HB2' ' HE3' ' A' ' 31' ' ' MET . 20.9 m -76.73 -15.25 59.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 33.42 110.884 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.776 HD11 HG22 ' A' ' 35' ' ' VAL . 2.8 mm? -93.78 -37.78 11.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 75.42 110.909 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 32.4 ptt85 -82.32 -28.59 31.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.32 110.873 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -56.41 -21.56 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 70.31 110.873 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 11.5 pt -103.56 -7.18 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 74.12 111.111 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 69.76 55.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 72.03 110.823 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -117.2 -29.6 5.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 72.11 110.861 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.549 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.6 pp -148.79 -179.19 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 73.31 111.078 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.549 ' N ' HD12 ' A' ' 114' ' ' ILE . 3.9 mtt180 -140.67 173.38 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 74.55 110.835 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.487 ' OE1' HG23 ' A' ' 105' ' ' ILE . 1.2 pm0 -149.12 126.73 11.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.866 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -112.67 103.96 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 73.32 110.901 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.86 101.79 3.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 75.34 110.903 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 11.4 m -119.26 81.67 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.877 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 68.72 -141.48 36.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 63.42 112.49 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 54.4 Cg_endo -69.66 2.97 3.0 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 72.03 112.39 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 74' ' ' ALA . 62.5 mt -115.84 170.3 8.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 73.15 110.897 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.2 m -156.6 116.26 3.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 72.34 111.124 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.553 ' CD1' HD21 ' A' ' 78' ' ' LEU . 21.8 m-85 -95.43 168.42 10.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 75.43 110.917 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.413 ' CD1' ' HB3' ' A' ' 116' ' ' GLU . 35.2 m-85 -152.48 118.13 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.937 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.3 149.56 49.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.703 0.763 . . . . 73.32 110.902 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 91.27 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 62.53 112.323 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 71.53 112.49 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.531 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.864 0.364 . . . . 72.41 111.143 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.59 159.53 1.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 75.45 110.868 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.517 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -113.79 -25.15 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 74.05 111.145 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.731 HG23 ' HB2' ' A' ' 39' ' ' ASP . 12.3 m -153.54 99.03 2.65 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 60.51 111.149 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 54.0 Cg_endo -69.71 171.24 14.76 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.646 2.23 . . . . 75.32 112.4 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -67.01 163.53 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 62.33 110.934 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.756 HD11 ' HB3' ' A' ' 31' ' ' MET . 1.0 OUTLIER -122.87 115.12 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 73.53 111.106 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.536 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -82.18 -172.33 3.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 60.14 111.192 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.738 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -55.95 -26.69 49.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.874 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -60.74 -29.14 69.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 75.34 110.852 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.477 ' O ' HG22 ' A' ' 17' ' ' THR . 76.9 mm-40 -108.11 -39.54 5.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 70.15 110.883 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -55.37 -37.35 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.873 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.29 -0.7 57.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.905 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -78.87 -3.82 46.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 72.14 111.129 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.496 HG13 HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -115.91 150.16 44.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 50.43 111.131 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.87 67.46 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.717 2.278 . . . . 74.33 112.341 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HA ' HD12 ' A' ' 23' ' ' LEU . 1.2 ttmt -64.64 -22.65 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.25 110.92 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -62.56 -16.52 56.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 63.35 110.934 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -106.94 -31.0 8.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 75.41 110.929 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.526 ' HA ' HD12 ' A' ' 26' ' ' LEU . 64.5 mt -61.19 -57.73 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.51 69.29 1.32 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.686 -0.769 . . . . 72.41 112.516 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 67.17 12.63 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 70.44 110.898 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 23' ' ' LEU . 3.4 mt -71.94 156.92 38.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 73.02 110.909 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.06 153.04 48.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 74.21 111.143 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.738 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -49.91 -40.58 43.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 71.13 110.895 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.41 -37.84 82.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 74.14 110.867 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 50.9 mtt -66.91 -45.58 77.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 63.1 110.893 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.756 ' HB3' HD11 ' A' ' 10' ' ' ILE . 89.8 mtp -75.33 -29.6 60.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 73.11 110.846 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -64.61 -41.62 96.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.1 110.933 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.565 ' OE1' HD22 ' A' ' 97' ' ' LEU . 10.0 pt-20 -79.81 -29.28 40.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 65.21 110.916 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.7 mt -70.45 -48.19 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 72.52 111.167 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.749 HG22 HD11 ' A' ' 108' ' ' LEU . 18.3 t -73.01 -31.24 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 74.51 111.17 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -69.27 -50.75 43.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 62.32 110.88 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -62.44 -52.98 61.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 74.1 110.854 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.453 ' HG3' HG21 ' A' ' 89' ' ' ILE . 19.3 mtp -51.58 -45.95 63.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 61.12 110.882 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.731 ' HB2' HG23 ' A' ' 7' ' ' VAL . 55.4 t0 -62.62 -32.1 73.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 55.42 110.904 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.69 -46.91 83.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 64.43 110.872 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.475 ' HD2' HD11 ' A' ' 89' ' ' ILE . 2.3 t80 -64.13 -53.26 52.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 72.12 110.878 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.711 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -62.48 -34.19 76.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 62.54 110.915 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.517 ' N ' HD11 ' A' ' 6' ' ' ILE . 11.1 tpt -62.51 -39.49 93.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 73.12 110.89 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.709 ' O ' HD12 ' A' ' 48' ' ' ILE . 6.6 ptmt -69.55 -35.1 75.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 71.43 110.888 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 29.6 tptt -62.36 -54.7 36.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 71.04 110.873 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -63.26 -24.38 67.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 53.14 110.862 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -29.4 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 62.41 110.88 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -82.51 -32.31 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 74.33 111.096 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.464 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.3 mt -63.41 -18.5 63.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 24.11 110.907 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -109.75 -34.0 2.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 50.45 112.447 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -51.98 171.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.355 . . . . 70.24 110.904 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 p -122.95 -175.34 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 55.04 111.141 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -69.5 -10.99 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 74.24 110.893 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -80.33 -44.79 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.914 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.542 ' O ' HG23 ' A' ' 57' ' ' THR . 24.1 mm-40 -92.13 -24.51 19.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 74.14 110.876 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.404 ' C ' HD23 ' A' ' 56' ' ' LEU . 5.7 tt -54.02 122.6 10.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 71.45 110.907 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 55' ' ' GLN . 81.6 p -128.13 -174.18 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 72.13 111.177 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -51.78 -45.93 63.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.427 . . . . 73.13 110.903 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.601 ' O ' HG13 ' A' ' 63' ' ' VAL . 3.5 m -51.42 -33.7 31.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.868 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -75.51 -34.33 60.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 72.32 110.882 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.04 -38.94 66.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.866 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.8 pt-20 -69.16 -40.91 77.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.4 110.85 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.672 HG11 ' HE2' ' A' ' 44' ' ' LYS . 35.1 m -70.41 -38.05 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 64.42 111.093 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.473 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -63.53 -43.89 95.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.944 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -45.29 83.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 62.12 110.84 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -65.11 -45.33 85.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 65.43 110.908 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.714 ' HA ' HD12 ' A' ' 70' ' ' LEU . 3.5 m95 -55.16 -50.09 70.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 64.55 110.923 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -64.03 -22.51 66.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 72.43 110.877 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -34.49 63.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.912 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.732 HD22 HG23 ' A' ' 85' ' ' ILE . 0.5 OUTLIER -75.99 -45.26 35.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 74.42 110.932 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -66.16 -28.48 68.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 72.15 110.873 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.3 ptm -88.17 -17.61 30.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 61.35 110.852 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.22 -16.14 36.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.877 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.768 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -73.36 1.4 9.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 40.44 111.125 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 51.09 31.14 6.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 75.45 110.859 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -175.45 170.57 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 73.21 110.918 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 52.6 mmt-85 -110.55 90.8 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 74.33 110.908 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.9 mp -52.3 161.48 1.03 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 51.12 110.914 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -31.3 21.01 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.743 2.296 . . . . 74.15 112.334 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.71 HG21 ' CG ' ' A' ' 126' ' ' TYR . 6.5 t -106.42 142.51 35.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.54 111.142 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 m -105.48 22.48 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 72.42 111.151 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.68 ' HB3' HD11 ' A' ' 42' ' ' LEU . 13.9 mt -131.02 61.42 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 61.43 110.944 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.442 ' HD2' HG23 ' A' ' 80' ' ' THR . 6.4 p90 -127.31 162.93 25.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 63.24 110.853 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.711 ' HD2' HD23 ' A' ' 42' ' ' LEU . 6.4 p90 -139.35 174.63 10.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 52.44 110.905 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.732 HG23 HD22 ' A' ' 70' ' ' LEU . 38.0 pt -106.49 144.8 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 54.25 111.148 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.6 -26.96 62.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 75.23 110.931 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -6.91 52.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 63.44 111.161 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -97.94 -21.9 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 65.54 110.876 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.475 HD11 ' HD2' ' A' ' 41' ' ' PHE . 10.3 mm -107.77 -34.87 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.44 111.129 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.534 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 11.6 ttm180 -48.91 -58.37 8.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 63.43 110.879 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.0 Cg_endo -69.73 5.4 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 72.44 112.38 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.29 -27.85 9.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 65.52 110.853 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.83 -113.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 74.35 110.959 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.523 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.3 tt0 -139.94 142.96 36.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 73.02 110.909 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -65.8 -40.11 91.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 70.24 110.841 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -89.64 21.93 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 64.02 110.841 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.565 HD22 ' OE1' ' A' ' 33' ' ' GLU . 11.0 tp -82.74 -19.7 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.907 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.547 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 2.9 mmt180 64.36 160.48 0.12 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.566 0.698 . . . . 73.02 110.904 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.547 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.6 Cg_endo -69.74 70.86 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.263 . . . . 61.0 112.353 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.6 p -98.13 -20.78 17.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.864 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -49.85 -53.0 28.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 65.34 110.895 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.17 -21.96 15.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 72.44 111.096 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -96.83 -20.57 18.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 72.24 110.906 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.05 -19.81 29.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 60.55 111.124 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.648 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 12.8 mm -47.8 -51.76 43.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.66 0.743 . . . . 55.45 111.149 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.2 Cg_endo -69.76 -34.6 14.25 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 74.53 112.373 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 6.1 m -75.39 -13.94 60.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 71.23 110.898 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.749 HD11 HG22 ' A' ' 35' ' ' VAL . 2.9 mm? -95.26 -32.18 13.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.905 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.432 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 14.2 ptt85 -87.55 -30.83 20.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 72.45 110.867 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -56.35 -23.95 40.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 71.34 110.846 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.415 HG22 ' CG2' ' A' ' 17' ' ' THR . 0.8 OUTLIER -101.36 -5.07 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 63.22 111.127 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 67.05 57.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.842 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.47 ' CD ' HG12 ' A' ' 7' ' ' VAL . 21.8 tpp85 -116.54 -31.0 5.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 71.21 110.898 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.562 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.7 pp -149.53 -178.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 73.42 111.132 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.562 ' N ' HD12 ' A' ' 114' ' ' ILE . 41.0 mtp180 -144.83 174.76 10.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.897 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.44 ' HB3' ' CD2' ' A' ' 125' ' ' TYR . 0.0 OUTLIER -145.79 125.94 13.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 71.31 110.91 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -113.2 108.99 18.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 73.23 110.913 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.37 102.16 4.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.878 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 25.7 m -115.42 81.15 1.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 42.21 110.877 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.413 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 69.28 -141.43 35.61 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.679 -0.772 . . . . 51.21 112.509 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.413 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 53.9 Cg_endo -69.74 4.87 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 70.32 112.354 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.3 mt -119.63 174.3 6.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.9 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.9 m -155.43 116.57 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 75.13 111.166 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.768 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 67.4 m-85 -96.84 169.21 10.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 54.43 110.888 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 116' ' ' GLU . 16.2 m-85 -150.75 125.22 9.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.51 110.891 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.71 ' CG ' HG21 ' A' ' 80' ' ' THR . 0.6 OUTLIER -125.55 147.98 60.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.731 . . . . 74.2 110.924 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 90.23 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.235 . . . . 74.23 112.372 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 72.22 112.469 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.543 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.826 0.346 . . . . 55.25 111.107 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.67 143.98 34.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 65.42 110.904 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.659 HD13 ' HB3' ' A' ' 42' ' ' LEU . 3.7 mp -90.58 -38.38 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 74.21 111.111 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 7' ' ' VAL . 6.5 m -155.25 98.35 2.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.739 . . . . 72.04 111.176 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.7 Cg_endo -69.73 170.54 16.3 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.697 2.265 . . . . 74.52 112.324 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -53.68 174.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 73.33 110.945 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.703 HD11 ' HB3' ' A' ' 31' ' ' MET . 8.6 pt -123.1 126.04 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.13 111.123 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.78 175.73 9.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 75.31 111.13 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.974 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -57.05 -32.95 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.22 110.87 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.6 -27.58 64.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.31 110.899 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.557 ' O ' HG22 ' A' ' 17' ' ' THR . 16.8 mm-40 -91.42 -20.71 21.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 72.42 110.869 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.51 ' CD1' HD12 ' A' ' 28' ' ' LEU . 14.2 t80 -94.23 -28.25 15.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 74.01 110.904 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -82.06 3.56 26.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 73.33 110.883 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.604 HG21 HG21 ' A' ' 111' ' ' ILE . 13.1 t -78.91 -17.52 55.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 51.33 111.152 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.446 HG13 HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -110.01 136.02 20.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.634 0.731 . . . . 73.11 111.127 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 159.31 53.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 61.23 112.372 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -61.2 -21.08 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 75.21 110.919 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -62.87 -16.95 60.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 74.03 110.912 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -109.08 -33.51 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 54.41 110.917 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.666 ' O ' HD12 ' A' ' 26' ' ' LEU . 56.3 mt -60.94 -60.58 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 54.41 110.944 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.68 77.83 0.21 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 64.45 112.45 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 65.66 13.9 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 52.34 110.915 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 23' ' ' LEU . 1.9 mt -88.16 152.13 22.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.21 110.897 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.3 m -138.35 158.2 44.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.46 . . . . 53.23 111.093 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.974 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -49.28 -43.9 43.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 73.04 110.911 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.22 -39.83 80.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 74.45 110.89 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.9 mmt -62.38 -47.57 83.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 64.43 110.897 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.703 ' HB3' HD11 ' A' ' 10' ' ' ILE . 12.7 mtt -73.81 -32.74 63.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 72.02 110.885 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -58.46 -43.34 88.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.895 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.599 ' OE1' HD22 ' A' ' 97' ' ' LEU . 12.6 pt-20 -79.03 -28.82 43.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 74.4 110.888 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.671 HG23 ' CE2' ' A' ' 101' ' ' PHE . 47.2 mt -71.33 -45.36 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 70.22 111.126 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 31' ' ' MET . 21.3 t -74.03 -28.68 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 61.41 111.092 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -73.71 -44.27 56.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 52.32 110.875 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -68.28 -48.68 64.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 73.13 110.866 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.605 ' HE3' HG22 ' A' ' 34' ' ' ILE . 12.6 ptp -57.79 -39.42 77.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 71.42 110.883 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -68.77 -30.37 68.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 54.24 110.83 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.52 -56.77 10.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 64.24 110.873 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -59.05 -47.51 84.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.881 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.748 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -62.87 -37.49 87.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 73.03 110.935 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.561 ' HA ' HD11 ' A' ' 6' ' ' ILE . 12.2 tpt -60.8 -37.24 81.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 62.54 110.82 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.779 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -70.88 -37.81 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 64.42 110.88 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 46.6 tptt -60.94 -53.72 53.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 75.42 110.885 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.6 p -61.76 -29.13 69.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 64.11 110.88 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -28.76 63.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 74.31 110.881 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 44' ' ' LYS . 2.5 mt -79.55 -32.24 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 71.25 111.156 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.603 ' CD1' HD21 ' A' ' 82' ' ' LEU . 5.9 mt -63.9 -19.61 65.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 74.24 110.921 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -102.28 -34.79 4.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 71.4 112.463 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -53.23 172.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 75.44 110.869 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.1 p -120.91 179.06 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 54.45 111.083 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.44 -20.53 66.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.894 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -70.98 -42.69 69.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 71.14 110.921 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -87.79 -33.45 18.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.04 110.932 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.542 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.3 tt -49.91 125.89 12.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 61.4 110.952 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.31 -173.3 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 63.41 111.194 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.4 tpp85 -50.08 -50.82 46.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 75.44 110.908 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.602 ' O ' HG13 ' A' ' 63' ' ' VAL . 3.8 m -53.6 -33.54 55.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 62.33 110.84 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.561 ' OD2' HG23 ' A' ' 48' ' ' ILE . 3.2 t0 -75.87 -33.78 59.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 60.33 110.862 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.542 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -75.56 -38.35 59.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 64.22 110.884 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' HG2' ' HA ' ' A' ' 59' ' ' SER . 15.8 pt-20 -69.31 -40.32 77.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 60.35 110.83 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.713 HG11 ' HE2' ' A' ' 44' ' ' LYS . 28.3 m -69.75 -39.57 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 72.25 111.163 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.523 HD22 ' OD1' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -65.82 -43.35 88.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 75.33 110.892 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -36.17 83.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 51.41 110.879 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -74.48 -47.19 34.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 64.42 110.869 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.485 ' HE3' HD12 ' A' ' 64' ' ' LEU . 5.6 m0 -53.34 -48.37 68.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 73.02 110.891 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -73.39 -22.6 60.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 74.33 110.84 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -73.11 -43.09 62.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 71.3 110.897 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.78 HD22 ' CG2' ' A' ' 85' ' ' ILE . 3.9 pp -74.73 -31.42 61.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 72.35 110.889 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.695 ' N ' HD12 ' A' ' 70' ' ' LEU . 83.6 tt0 -72.57 -28.58 62.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 75.42 110.888 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -89.63 -25.86 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.89 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.557 ' HE2' HD11 ' A' ' 122' ' ' LEU . 11.7 ptmt -81.8 -15.75 53.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 62.12 110.915 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -72.28 -0.15 11.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 71.05 111.137 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 48.54 49.63 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 61.35 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.1 tptp 179.41 122.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 65.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -78.9 90.18 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.873 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.92 153.45 54.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.583 0.706 . . . . 72.14 110.914 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -49.26 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 65.14 112.327 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -78.07 155.31 30.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 62.02 111.163 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.1 m -121.4 -4.17 9.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 72.15 111.181 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.603 HD21 ' CD1' ' A' ' 49' ' ' LEU . 23.8 mt -108.15 66.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 72.54 110.958 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.03 -174.28 3.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 74.4 110.863 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.748 ' HD2' HD23 ' A' ' 42' ' ' LEU . 2.3 p90 -152.06 164.01 38.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 72.4 110.873 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.78 ' CG2' HD22 ' A' ' 70' ' ' LEU . 43.9 pt -100.5 144.35 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 64.31 111.164 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -23.36 46.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.3 110.904 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.454 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -75.59 -9.02 58.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 72.41 111.145 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -105.67 -17.36 14.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.852 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.484 HG13 ' CE1' ' A' ' 84' ' ' PHE . 22.1 mm -106.47 -31.83 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 53.02 111.14 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.5 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 3.9 ttp85 -49.98 -59.47 6.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 70.21 110.851 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.75 5.39 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.707 2.271 . . . . 71.5 112.355 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -104.49 -34.82 8.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 71.43 110.885 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.11 -116.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 71.43 110.902 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.429 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -140.82 140.83 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 61.22 110.907 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -68.39 -24.23 64.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.917 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -101.01 0.17 37.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 72.24 110.863 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.599 HD22 ' OE1' ' A' ' 33' ' ' GLU . 14.4 tp -63.87 -18.81 64.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 73.44 110.939 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 61.69 163.8 0.11 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 74.34 110.88 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 68.53 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.722 2.281 . . . . 72.13 112.358 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 m -98.23 -25.85 14.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 55.44 110.924 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.671 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -51.56 -50.92 59.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 73.41 110.846 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.27 -22.62 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 71.32 111.079 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -95.15 -22.34 17.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 72.53 110.915 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.419 ' N ' HD11 ' A' ' 26' ' ' LEU . . . -86.96 -18.19 31.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 64.53 111.057 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.645 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 12.6 mm -47.65 -51.49 44.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.636 0.731 . . . . 71.41 111.141 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.645 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.76 -32.14 19.16 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 64.43 112.382 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.2 m -74.34 -18.79 60.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 61.42 110.882 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.86 -38.66 12.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 64.01 110.935 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 7.0 ptm180 -80.09 -31.59 39.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.4 110.861 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -55.86 -21.82 21.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 63.44 110.849 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.604 HG21 HG21 ' A' ' 17' ' ' THR . 12.3 pt -104.78 -8.73 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 71.53 111.144 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 71.09 54.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -112.87 -29.68 7.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 65.33 110.907 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.549 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.7 pp -150.6 -179.17 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.13 111.137 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.549 ' N ' HD12 ' A' ' 114' ' ' ILE . 2.7 mtt180 -139.11 171.1 14.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 42.32 110.925 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.613 ' OE1' HG23 ' A' ' 105' ' ' ILE . 1.8 pm0 -149.03 128.94 13.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.912 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -116.9 105.34 12.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 64.34 110.879 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.66 104.3 3.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 64.51 110.87 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 10.4 m -120.77 82.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 61.32 110.901 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 67.37 -140.1 36.72 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.736 . . . . 74.14 112.496 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 53.7 Cg_endo -69.79 1.5 4.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.724 2.283 . . . . 71.44 112.352 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.557 HD11 ' HE2' ' A' ' 73' ' ' LYS . 1.9 mt -118.12 174.33 6.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.93 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 8.8 m -155.57 123.25 5.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 74.11 111.156 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 9.3 m-85 -94.77 163.11 13.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 63.54 110.881 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -150.59 117.59 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 65.14 110.924 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.81 158.62 61.94 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.684 0.754 . . . . 73.24 110.906 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' PRO . . . . . 0.4 ' HB3' HG22 ' A' ' 6' ' ' ILE . 53.8 Cg_endo -69.77 98.77 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.687 2.258 . . . . 74.35 112.322 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 54.13 112.509 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.837 0.351 . . . . 73.43 111.114 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.09 145.39 55.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.856 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.721 HD11 ' HA ' ' A' ' 43' ' ' MET . 1.2 mp -96.84 -36.31 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 75.43 111.101 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.471 HG23 ' HB2' ' A' ' 39' ' ' ASP . 3.4 m -155.77 98.9 2.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 71.21 111.139 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 54.3 Cg_endo -69.71 171.15 14.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 63.24 112.386 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -58.54 155.75 11.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 71.23 110.934 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.816 HD11 ' HB3' ' A' ' 31' ' ' MET . 3.4 pt -117.53 114.74 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 53.3 111.154 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.486 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -88.41 -170.51 2.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 62.41 111.159 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.674 ' HA ' HD11 ' A' ' 28' ' ' LEU . 2.7 t0 -55.39 -23.3 23.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 72.15 110.877 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.64 -30.03 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.884 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.455 ' O ' HG23 ' A' ' 17' ' ' THR . 70.0 mm-40 -104.67 -43.01 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 74.23 110.852 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -57.85 -24.93 59.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.34 110.892 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -12.72 60.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 64.54 110.893 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.563 ' OG1' HD13 ' A' ' 18' ' ' ILE . 18.7 p -78.03 -15.42 58.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 51.51 111.088 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.563 HD13 ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -122.54 94.58 47.56 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.631 0.729 . . . . 61.3 111.11 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 178.77 4.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.721 2.281 . . . . 75.21 112.387 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -53.14 -25.92 15.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 75.21 110.903 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -62.46 -22.84 66.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 74.11 110.956 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -109.28 -42.98 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 75.01 110.923 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.553 HD21 HG13 ' A' ' 18' ' ' ILE . 14.6 mt -68.54 -54.3 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 63.35 110.927 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.53 -55.35 4.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.789 -0.719 . . . . 74.43 112.461 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -155.06 21.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 75.13 110.852 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' A' ' 30' ' ' MET . 0.2 OUTLIER -100.52 165.79 11.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 70.21 110.938 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.417 ' OG1' ' HG2' ' A' ' 30' ' ' MET . 0.0 OUTLIER -139.82 165.85 26.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 62.23 111.126 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.674 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -53.32 -41.0 65.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.942 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.89 -39.88 90.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 75.41 110.856 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.536 ' HB2' HD23 ' A' ' 26' ' ' LEU . 7.9 mmt -66.07 -43.89 86.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 74.41 110.881 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.816 ' HB3' HD11 ' A' ' 10' ' ' ILE . 93.0 mtp -75.82 -30.79 59.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.52 110.904 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -64.08 -40.13 95.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 62.34 110.927 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.597 ' OE2' HD13 ' A' ' 97' ' ' LEU . 12.5 pt-20 -80.97 -30.02 35.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 52.01 110.905 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.601 HG23 ' CE2' ' A' ' 101' ' ' PHE . 41.8 mt -70.29 -48.61 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 74.12 111.147 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.671 HG22 HD11 ' A' ' 108' ' ' LEU . 21.7 t -73.08 -29.44 28.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 72.21 111.172 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -67.97 -52.04 40.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 75.03 110.901 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -64.29 -49.05 73.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.899 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -43.53 63.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 65.51 110.885 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.471 ' HB2' HG23 ' A' ' 7' ' ' VAL . 37.7 t0 -67.3 -30.4 70.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 74.13 110.867 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -62.28 -58.58 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 75.54 110.847 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -45.52 92.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 71.24 110.871 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -65.09 -29.19 70.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 72.13 110.929 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.721 ' HA ' HD11 ' A' ' 6' ' ' ILE . 6.0 tpt -68.04 -39.89 82.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.894 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.626 ' CE ' HG11 ' A' ' 63' ' ' VAL . 9.0 ptmt -71.45 -35.48 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 75.43 110.914 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -64.22 -53.67 45.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 74.24 110.888 179.862 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -62.63 -25.85 68.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 70.24 110.849 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -27.99 61.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 74.55 110.944 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 44' ' ' LYS . 5.9 mt -81.85 -31.95 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.44 111.144 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 6.7 mt -69.67 -11.03 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 70.02 110.92 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.08 33.17 2.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 64.52 112.463 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -119.18 -175.32 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.389 . . . . 72.13 110.846 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 54' ' ' LYS . 8.8 t -127.18 171.09 11.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 72.12 111.12 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.403 ' HA ' ' HB3' ' A' ' 56' ' ' LEU . 3.0 m120 -66.15 -12.9 58.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 63.23 110.891 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.514 ' H ' HG23 ' A' ' 52' ' ' THR . 45.1 mttm -68.15 -54.12 20.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 61.53 110.881 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.595 ' O ' HG23 ' A' ' 57' ' ' THR . 21.9 tp60 -84.34 -30.15 25.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 62.43 110.887 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 56' ' ' LEU . 5.0 tt -47.3 119.68 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.93 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 55' ' ' GLN . 33.7 p -115.93 -172.93 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 75.31 111.143 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -59.01 -45.3 91.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 72.43 110.899 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.465 ' O ' HG13 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -51.32 -31.48 21.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 52.31 110.868 -179.83 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -73.75 -34.2 64.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 62.11 110.835 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -36.3 67.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 72.34 110.819 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 63' ' ' VAL . 0.4 OUTLIER -70.7 -37.99 73.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 72.32 110.912 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.626 HG11 ' CE ' ' A' ' 44' ' ' LYS . 27.9 m -74.57 -39.35 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 74.31 111.09 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -63.42 -42.99 98.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 65.14 110.945 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -36.32 79.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 62.34 110.801 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -73.73 -40.96 63.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 53.1 110.929 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -44.03 97.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 73.13 110.887 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -73.16 -22.36 60.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 73.04 110.865 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -70.73 -44.41 66.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 74.11 110.891 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.908 HD22 HG23 ' A' ' 85' ' ' ILE . 2.9 pp -76.5 -29.14 56.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 35.33 110.934 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.57 ' N ' HD12 ' A' ' 70' ' ' LEU . 11.2 tp10 -73.73 -30.66 62.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 73.53 110.892 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.7 ptm -87.73 -19.3 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 65.4 110.904 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.586 ' HE3' HD11 ' A' ' 122' ' ' LEU . 3.0 pttp -91.52 -13.51 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.4 110.897 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.611 ' HB2' ' HZ ' ' A' ' 124' ' ' PHE . . . -72.81 -1.24 15.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 31.41 111.073 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 48.15 38.92 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 70.45 110.852 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -177.62 136.7 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 75.42 110.903 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -88.6 91.51 8.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.836 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.659 HD21 ' CD2' ' A' ' 124' ' ' PHE . 1.6 mp -51.77 158.15 1.72 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.622 0.725 . . . . 73.21 110.878 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.653 2.235 . . . . 71.24 112.347 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.723 HG21 ' HB3' ' A' ' 126' ' ' TYR . 4.6 t -79.84 164.29 23.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 64.04 111.114 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.8 t -117.81 -18.05 9.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 62.31 111.122 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.742 ' HB3' HD11 ' A' ' 42' ' ' LEU . 12.4 mt -98.29 67.01 1.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 71.04 110.955 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.686 ' HD2' HG23 ' A' ' 80' ' ' THR . 9.0 p90 -132.3 153.95 50.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.885 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.731 ' CD2' HD23 ' A' ' 42' ' ' LEU . 1.4 p90 -130.33 175.61 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.9 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.908 HG23 HD22 ' A' ' 70' ' ' LEU . 43.6 pt -107.27 146.5 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 74.14 111.128 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -26.85 55.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 64.13 110.86 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.558 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -74.63 -6.81 50.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 72.23 111.171 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.42 -3.13 17.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 64.41 110.834 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.8 mm -123.51 -40.06 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 63.42 111.088 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.603 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.3 OUTLIER -53.76 -54.69 43.63 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.612 0.72 . . . . 75.35 110.887 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.0 Cg_endo -69.78 3.69 2.64 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.687 2.258 . . . . 62.11 112.378 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.71 -30.88 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.919 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.6 mt -64.27 -112.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 60.01 110.886 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.449 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 1.1 mt-30 -133.53 140.53 47.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 73.02 110.891 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.41 -23.99 65.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 64.44 110.816 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -100.83 -2.01 33.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 71.11 110.878 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.597 HD13 ' OE2' ' A' ' 33' ' ' GLU . 26.0 tp -65.77 -22.24 66.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 64.02 110.926 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.401 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 24.9 mmt180 61.08 161.39 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 71.5 110.904 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.7 Cg_endo -69.81 70.0 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.665 2.244 . . . . 75.54 112.346 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.5 m -97.21 -17.3 19.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 65.03 110.922 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.601 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -50.88 -50.72 56.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 72.54 110.869 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.03 -24.4 9.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.22 111.114 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -91.98 -24.98 19.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.918 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.88 -15.66 41.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 65.22 111.132 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.649 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 14.1 mm -46.87 -51.42 39.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 64.41 111.116 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.75 -30.29 22.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.237 . . . . 73.12 112.34 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.476 ' HA ' HG21 ' A' ' 18' ' ' ILE . 5.7 m -77.91 -15.62 58.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.43 110.898 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.671 HD11 HG22 ' A' ' 35' ' ' VAL . 3.1 mm? -94.97 -34.76 12.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.54 110.912 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.463 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -83.7 -29.72 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.858 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -56.18 -21.49 23.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 65.42 110.882 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.493 HD12 ' CD ' ' A' ' 113' ' ' ARG . 9.4 pt -101.11 -11.38 8.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 63.11 111.095 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 71.59 58.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 75.24 110.864 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.493 ' CD ' HD12 ' A' ' 111' ' ' ILE . 51.0 mtt180 -121.64 -32.64 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.909 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.59 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.5 pp -144.56 179.08 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 71.21 111.088 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.59 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.2 OUTLIER -148.21 177.34 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.902 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.435 ' CD ' HG23 ' A' ' 105' ' ' ILE . 2.8 pm0 -143.15 138.01 29.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 64.42 110.891 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.61 106.32 15.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.879 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -84.4 101.57 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 73.32 110.866 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.0 m -129.63 87.96 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 63.23 110.87 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 65.73 -148.04 50.83 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.819 -0.705 . . . . 53.4 112.464 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 33.75 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.716 2.277 . . . . 61.43 112.354 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.586 HD11 ' HE3' ' A' ' 73' ' ' LYS . 14.9 mt -138.32 162.14 35.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.89 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.89 104.59 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 72.24 111.136 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.659 ' CD2' HD21 ' A' ' 78' ' ' LEU . 54.0 m-85 -95.48 172.22 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 72.34 110.879 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -151.92 124.44 8.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.949 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.723 ' HB3' HG21 ' A' ' 80' ' ' THR . 1.0 OUTLIER -120.9 147.67 46.77 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.66 0.743 . . . . 64.32 110.916 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 88.46 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 75.54 112.342 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 52.3 112.449 179.928 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.786 0.327 . . . . 64.31 110.887 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -91.35 -50.1 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 53.45 110.881 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.59 92.12 6.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 73.55 110.837 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.541 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -118.69 154.35 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.139 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -55.31 160.21 2.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.81 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.51 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -116.89 -25.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 41.42 111.111 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.678 HG23 ' HB2' ' A' ' 39' ' ' ASP . 18.4 m -152.54 106.98 2.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.571 0.701 . . . . 71.05 111.187 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -175.01 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 2.276 . . . . 72.31 112.323 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -87.25 161.57 17.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 75.42 110.906 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.814 HD11 ' HB3' ' A' ' 31' ' ' MET . 7.8 pt -115.01 138.64 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 72.21 111.07 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.49 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -113.4 -168.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.494 . . . . 74.41 111.101 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.674 ' HA ' HD11 ' A' ' 28' ' ' LEU . 10.8 t0 -57.43 -21.94 39.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 71.02 110.909 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -71.51 -30.07 65.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 71.41 110.89 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.469 ' HG3' HG22 ' A' ' 10' ' ' ILE . 28.5 mm-40 -95.78 -39.04 10.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 75.44 110.882 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CE1' HD13 ' A' ' 23' ' ' LEU . 6.5 t80 -64.19 -40.36 95.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 75.21 110.879 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -58.17 -20.19 38.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 62.24 110.917 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 p -77.41 -11.42 59.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 61.15 111.147 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.714 HD13 ' SG ' ' A' ' 107' ' ' CYS . 2.6 mt -114.63 109.92 47.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.621 0.724 . . . . 62.13 111.121 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 18' ' ' ILE . 54.2 Cg_endo -69.77 162.34 42.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.279 . . . . 64.43 112.354 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -58.04 -20.03 35.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 72.42 110.886 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -61.38 -19.45 61.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 72.35 110.903 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -113.05 -34.11 5.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.926 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.651 HD11 ' O ' ' A' ' 18' ' ' ILE . 5.0 mt -75.44 -52.0 11.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.911 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.57 -89.27 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 72.32 112.496 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -114.93 22.71 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 74.45 110.866 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.48 HD12 ' HB3' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -98.16 176.03 5.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.882 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 26' ' ' LEU . 1.1 p -158.52 162.23 37.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 61.33 111.143 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.674 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -50.63 -42.77 56.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 73.12 110.919 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.27 -41.71 89.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 72.51 110.891 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.0 mtt -63.21 -42.31 99.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.879 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.814 ' HB3' HD11 ' A' ' 10' ' ' ILE . 1.6 mtp -74.51 -37.44 63.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 73.41 110.893 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -57.07 -42.4 80.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.89 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.595 ' CD ' HD13 ' A' ' 97' ' ' LEU . 9.6 pt-20 -78.4 -27.19 46.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 63.13 110.927 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.7 mt -72.73 -46.16 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 63.51 111.183 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.969 HG22 HD11 ' A' ' 108' ' ' LEU . 4.8 t -73.9 -27.58 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 71.31 111.088 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -72.53 -52.96 13.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 61.3 110.853 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.513 ' HB2' HD23 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -62.27 -43.38 98.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.822 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 78.8 mtp -59.22 -49.66 77.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 71.03 110.865 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.678 ' HB2' HG23 ' A' ' 7' ' ' VAL . 51.7 t0 -59.22 -29.9 67.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.43 . . . . 63.25 110.895 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -66.53 -54.95 18.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 53.32 110.864 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -39.44 91.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 71.44 110.865 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.701 HD23 ' CE2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -72.75 -35.02 67.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.915 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.51 ' N ' HD11 ' A' ' 6' ' ' ILE . 10.6 tpt -65.0 -41.31 95.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 64.4 110.871 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.753 ' O ' HD12 ' A' ' 48' ' ' ILE . 5.1 ptpp? -70.66 -34.02 71.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 75.43 110.914 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -62.55 -53.63 51.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 64.53 110.918 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.403 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 1.5 t -64.7 -24.89 67.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.84 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -29.46 63.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 73.4 110.925 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.753 HD12 ' O ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -81.65 -33.22 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 51.34 111.09 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.428 ' N ' HD23 ' A' ' 49' ' ' LEU . 6.1 mt -60.86 -18.78 58.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 61.15 110.891 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.06 -31.28 3.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 54.15 112.516 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.05 -174.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 54.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 p -139.96 -172.72 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 64.42 111.139 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -64.35 -15.55 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.882 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -70.52 -53.41 16.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.896 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.99 -28.59 29.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 73.44 110.936 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 56' ' ' LEU . 2.9 tt -50.77 117.85 2.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.909 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 t -119.36 -174.12 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 63.02 111.11 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -50.76 -50.35 55.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 65.54 110.904 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.615 ' O ' HG13 ' A' ' 63' ' ' VAL . 4.1 m -60.5 -25.98 66.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 52.23 110.857 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -74.87 -33.76 62.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 73.44 110.877 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -38.94 57.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 73.41 110.84 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -68.34 -38.14 81.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 52.34 110.887 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.615 HG13 ' O ' ' A' ' 59' ' ' SER . 27.5 m -72.08 -37.98 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 71.54 111.111 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.46 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -65.84 -39.13 90.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.949 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -41.14 82.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.89 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -73.62 -44.7 56.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 60.32 110.824 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 31.0 m0 -59.5 -43.61 93.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 71.53 110.916 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -22.97 60.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 71.42 110.833 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -69.43 -44.51 71.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 74.14 110.846 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.962 HD22 HG23 ' A' ' 85' ' ' ILE . 3.0 pp -76.0 -32.64 59.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 72.23 110.876 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.61 ' N ' HD12 ' A' ' 70' ' ' LEU . 17.8 mt-10 -68.44 -33.08 73.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.859 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.6 ptm -87.65 -18.44 29.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 62.03 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.47 -18.92 36.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 71.34 110.894 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.633 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -76.21 2.76 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 61.41 111.057 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? 69.8 57.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 72.14 110.887 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt 40.23 40.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.87 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.507 ' CB ' HD12 ' A' ' 78' ' ' LEU . 23.7 mmt180 -102.49 -174.16 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 71.31 110.885 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.695 HD21 ' CD2' ' A' ' 124' ' ' PHE . 4.7 mp 63.93 114.77 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.709 . . . . 42.15 110.901 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -19.24 36.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.732 2.288 . . . . 63.01 112.356 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -92.44 172.08 8.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 72.55 111.103 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 81' ' ' THR . 4.6 m -138.61 9.61 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.22 111.153 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.495 ' HB3' HD11 ' A' ' 42' ' ' LEU . 14.6 mt -117.93 65.46 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 70.51 110.919 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.401 ' CZ ' HD22 ' A' ' 78' ' ' LEU . 3.5 p90 -137.21 172.73 12.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.907 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.701 ' CE2' HD23 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -143.97 171.86 13.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 60.13 110.894 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.962 HG23 HD22 ' A' ' 70' ' ' LEU . 43.1 pt -98.98 143.75 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 65.52 111.112 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.71 -25.29 53.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 72.2 110.886 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.466 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -72.6 -9.82 59.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 64.11 111.195 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.69 -26.19 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 71.42 110.88 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.1 mm -96.11 -36.18 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 61.13 111.15 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.536 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 10.3 tpp85 -50.68 -57.98 11.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 72.04 110.906 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.9 Cg_endo -69.73 5.01 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 63.24 112.331 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.15 -22.48 12.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 73.01 110.895 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' A' ' 37' ' ' LYS . 93.3 mt -71.51 -113.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 72.53 110.872 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.429 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 1.8 mt-30 -136.83 141.46 42.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 75.11 110.88 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -68.29 -22.94 64.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 64.12 110.857 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -101.12 -2.58 31.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.868 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.595 HD13 ' CD ' ' A' ' 33' ' ' GLU . 17.1 tp -64.69 -21.84 66.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 73.11 110.93 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 62.21 163.39 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.702 . . . . 74.31 110.873 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 68.26 1.7 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.731 2.287 . . . . 74.34 112.361 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.18 -15.66 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 72.02 110.825 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -50.95 -52.44 42.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 70.04 110.894 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.8 -22.32 13.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 63.01 111.102 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.48 ' HB3' HD12 ' A' ' 26' ' ' LEU . 3.2 mptp? -97.55 -21.81 16.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 71.3 110.907 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.456 ' HB2' HD21 ' A' ' 26' ' ' LEU . . . -84.66 -17.43 38.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 52.51 111.112 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.637 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 14.6 mm -46.63 -52.16 32.64 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.605 0.717 . . . . 72.53 111.083 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.637 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.8 Cg_endo -69.75 -22.0 32.76 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.678 2.252 . . . . 70.41 112.333 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.714 ' SG ' HD13 ' A' ' 18' ' ' ILE . 7.0 t -83.51 -27.4 29.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 74.04 110.879 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.969 HD11 HG22 ' A' ' 35' ' ' VAL . 2.5 mm? -84.29 -34.08 23.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.893 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.474 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 8.0 ptm180 -79.71 -32.73 41.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.44 110.897 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -55.41 -21.19 14.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.862 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 14.5 pt -106.49 -10.84 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 53.3 111.134 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 70.38 45.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.869 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -100.09 -29.37 12.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 61.33 110.894 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.562 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.9 pp -149.85 -179.65 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 72.31 111.136 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.562 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.3 OUTLIER -140.48 169.77 17.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 74.21 110.852 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.462 ' HG2' HG23 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -143.04 126.92 17.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 73.43 110.92 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.15 111.58 21.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.927 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.14 100.58 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 73.33 110.868 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 28.4 m -121.71 89.4 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.837 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.463 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 62.93 -148.76 49.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 75.33 112.501 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 35.57 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 75.32 112.344 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.463 ' H ' ' C ' ' A' ' 120' ' ' GLY . 32.9 mt -143.95 166.64 24.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 73.12 110.886 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.51 108.73 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 61.43 111.107 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.695 ' CD2' HD21 ' A' ' 78' ' ' LEU . 52.3 m-85 -96.94 163.15 13.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 65.51 110.879 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -148.88 123.55 9.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.133 -0.485 . . . . 70.25 110.955 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -122.47 160.54 47.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.681 0.753 . . . . 61.05 110.918 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 96.69 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 54.3 112.362 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 50.25 -149.4 6.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.692 -0.766 . . . . 70.41 112.51 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.3 t -133.17 141.02 47.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.397 . . . . 73.13 110.813 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 74.33 110.846 -179.837 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 ptp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.753 0.311 . . . . 75.55 110.929 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -103.57 -177.93 3.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 63.22 110.911 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -100.46 20.24 15.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.902 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.77 163.1 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 74.32 111.152 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.5 147.17 42.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.04 110.839 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.769 HD13 ' HB3' ' A' ' 42' ' ' LEU . 1.8 mp -99.62 -33.38 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 61.42 111.145 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.524 HG11 HG22 ' A' ' 114' ' ' ILE . 5.6 m -154.2 100.06 2.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 74.45 111.164 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.6 Cg_endo -69.8 164.26 35.22 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.642 2.228 . . . . 74.1 112.346 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -61.96 169.21 2.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 62.43 110.89 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.875 HD11 ' HB3' ' A' ' 31' ' ' MET . 12.3 pt -120.6 120.44 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 71.05 111.156 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.16 -169.25 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 74.53 111.19 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.844 ' HA ' HD11 ' A' ' 28' ' ' LEU . 7.3 t70 -63.52 -19.54 64.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 71.11 110.864 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -80.68 -29.33 36.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 74.1 110.856 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.411 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 12.6 mm-40 -95.18 -34.4 12.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 71.33 110.879 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -71.57 -33.56 69.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 64.14 110.876 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -66.42 -11.63 52.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.497 . . . . 72.21 110.913 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 p -76.66 -7.68 55.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 55.33 111.129 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.7 mp -110.96 120.46 43.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.689 0.756 . . . . 65.12 111.129 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 154.74 67.49 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.673 2.248 . . . . 51.15 112.345 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -57.03 -28.03 62.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 74.25 110.887 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -62.75 -17.85 61.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 70.42 110.91 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -108.31 -33.48 7.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 64.13 110.91 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.664 ' O ' HD12 ' A' ' 26' ' ' LEU . 80.2 mt -60.95 -60.31 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 53.44 110.924 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.03 74.16 0.51 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.766 -0.731 . . . . 72.15 112.474 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 66.04 13.24 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 75.12 110.888 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 23' ' ' LEU . 2.5 mt -84.25 160.95 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.872 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 m -144.01 158.85 43.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 72.05 111.123 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.844 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -50.71 -42.66 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 71.14 110.938 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.25 -38.18 79.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 74.35 110.918 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.0 mmt -62.81 -48.05 80.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 72.5 110.923 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.875 ' HB3' HD11 ' A' ' 10' ' ' ILE . 6.6 mtt -75.09 -31.83 61.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 72.13 110.866 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -58.84 -42.94 90.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.864 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.631 ' OE2' HD13 ' A' ' 97' ' ' LEU . 8.0 pt-20 -80.07 -31.45 39.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 61.12 110.85 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.401 ' HA ' HD21 ' A' ' 93' ' ' LEU . 44.3 mt -68.06 -46.74 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 75.24 111.133 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.751 HG22 HD11 ' A' ' 108' ' ' LEU . 14.0 t -75.33 -26.94 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.162 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -73.11 -52.17 15.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 43.13 110.843 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.559 ' HB2' HD23 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -66.32 -42.11 88.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.902 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.9 mtm -58.96 -53.47 58.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 53.52 110.881 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -32.01 72.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 74.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -59.94 -55.18 37.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 64.3 110.848 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.401 ' HD2' HD13 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -60.06 -49.65 76.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 74.51 110.858 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.776 HD23 ' CD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -62.74 -33.08 74.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.901 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.653 ' HA ' HD11 ' A' ' 6' ' ' ILE . 54.6 ttp -64.36 -38.48 91.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 74.34 110.89 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.637 ' O ' HD12 ' A' ' 48' ' ' ILE . 3.4 ptmt -72.0 -36.87 69.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 55.55 110.908 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.444 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 31.5 mmtp -61.42 -53.07 61.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 71.13 110.912 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -64.99 -25.51 67.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.23 110.855 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -29.03 64.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 72.51 110.862 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.651 HG21 HD13 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -84.66 -31.88 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 75.3 111.173 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 5.0 mt -61.43 -17.95 56.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 75.45 110.911 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -106.13 -36.75 2.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.695 -0.764 . . . . 71.11 112.498 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.85 171.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 75.25 110.856 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 54' ' ' LYS . 15.2 t -117.17 173.18 6.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 75.23 111.145 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -58.14 -22.36 50.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 63.34 110.933 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.654 ' H ' HG23 ' A' ' 52' ' ' THR . 8.5 mmmm -69.85 -45.99 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 71.01 110.856 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.694 ' O ' HG23 ' A' ' 57' ' ' THR . 12.9 mm-40 -84.28 -26.57 28.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 73.14 110.933 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 56' ' ' LEU . 1.7 tt -49.05 123.79 7.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 73.24 110.888 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 55' ' ' GLN . 43.7 p -127.06 -172.44 2.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 64.22 111.19 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.8 tpp85 -50.13 -46.44 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 62.1 110.861 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.6 ' O ' HG13 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -61.84 -29.23 70.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 55.24 110.897 -179.803 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.536 ' OD1' HD22 ' A' ' 64' ' ' LEU . 6.0 t0 -75.9 -32.93 59.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 52.24 110.919 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.504 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -75.1 -38.86 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 75.05 110.853 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.4 -42.51 75.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 64.33 110.875 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.632 HG21 HD13 ' A' ' 48' ' ' ILE . 29.1 m -66.57 -40.33 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 73.54 111.144 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.651 HD13 HG21 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -63.75 -44.79 92.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.916 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -42.17 97.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 73.35 110.836 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.445 ' OD1' HD11 ' A' ' 70' ' ' LEU . 18.6 t-20 -70.23 -46.28 64.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.898 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.71 ' HA ' HD12 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -49.84 -48.7 50.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 73.41 110.963 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -22.42 61.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 73.24 110.914 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -38.53 63.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 72.33 110.884 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.742 HD22 HG23 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -75.57 -42.69 51.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 75.43 110.93 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.08 -29.01 68.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 53.41 110.928 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.0 ptm -87.98 -17.33 31.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 43.54 110.897 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -91.23 -12.34 35.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 62.44 110.915 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.675 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -75.58 0.03 18.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 45.2 111.134 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 48.23 36.69 7.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 65.13 110.901 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -178.4 165.65 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.914 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -104.98 91.11 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 64.25 110.885 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.434 HD22 ' CE2' ' A' ' 83' ' ' PHE . 7.4 mp -63.31 160.59 39.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 43.54 110.954 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -36.64 10.38 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.711 2.274 . . . . 74.2 112.301 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.6 m -122.99 99.53 6.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 74.43 111.15 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 m -65.27 -12.57 53.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 64.45 111.186 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.693 ' HB3' HD11 ' A' ' 42' ' ' LEU . 17.6 mt -75.38 71.84 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.901 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.434 ' CE2' HD22 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -141.01 -177.73 5.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 72.23 110.892 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.776 ' CD2' HD23 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -151.32 168.47 24.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.904 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.742 HG23 HD22 ' A' ' 70' ' ' LEU . 33.8 pt -99.16 153.12 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 65.12 111.15 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -56.19 -30.3 62.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 55.41 110.851 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -8.94 58.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 71.2 111.139 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -98.93 -6.93 27.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 63.42 110.871 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.401 HD13 ' HD2' ' A' ' 41' ' ' PHE . 12.4 mm -122.59 -37.36 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.11 111.165 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.528 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 13.0 ttt180 -49.38 -58.62 8.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 74.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.75 9.32 0.61 Allowed 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.689 2.259 . . . . 70.1 112.353 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -112.89 -23.26 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 51.43 110.902 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.559 HD23 ' HB2' ' A' ' 37' ' ' LYS . 36.0 mt -73.8 -118.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 54.15 110.903 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.476 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.7 tt0 -134.81 143.42 47.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 71.53 110.952 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.09 -39.32 93.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.872 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -90.42 21.27 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 51.43 110.909 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.631 HD13 ' OE2' ' A' ' 33' ' ' GLU . 9.6 tp -80.67 -22.31 40.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.935 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 64.35 164.11 0.12 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 64.24 110.854 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 69.4 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.649 2.233 . . . . 62.32 112.338 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.72 -23.97 15.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.9 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.615 ' CE1' HD11 ' A' ' 105' ' ' ILE . 15.8 t80 -51.63 -50.48 60.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 74.11 110.878 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.0 -19.94 21.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 44.03 111.073 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.38 -20.13 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.901 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.92 -19.98 33.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 74.51 111.11 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.639 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 15.5 mm -46.32 -52.26 29.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.668 0.747 . . . . 53.4 111.147 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.4 Cg_endo -69.78 -30.75 21.67 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.664 2.243 . . . . 70.33 112.387 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 4.7 m -77.7 -13.9 59.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 72.54 110.867 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.751 HD11 HG22 ' A' ' 35' ' ' VAL . 3.3 mm? -95.15 -34.68 12.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 75.32 110.91 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.44 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 15.0 ptm180 -84.14 -30.63 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 70.13 110.852 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -56.57 -20.8 22.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 62.14 110.843 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.695 HD12 ' HD2' ' A' ' 113' ' ' ARG . 13.1 pt -101.16 -11.39 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 63.11 111.09 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.51 57.59 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 74.1 110.882 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.695 ' HD2' HD12 ' A' ' 111' ' ' ILE . 13.0 mtp85 -121.29 -31.57 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 72.34 110.851 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.582 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.5 pp -144.57 -179.27 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 63.22 111.117 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.582 ' N ' HD12 ' A' ' 114' ' ' ILE . 18.5 mtp85 -146.18 175.35 10.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 73.14 110.863 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.48 130.38 18.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 62.11 110.856 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.48 106.74 14.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.895 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -81.95 102.19 10.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 73.54 110.864 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 6.5 m -125.74 93.86 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.892 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.43 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 60.52 -149.27 43.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 35.13 112.475 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 39.34 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 74.3 112.35 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.43 ' H ' ' C ' ' A' ' 120' ' ' GLY . 77.7 mt -147.71 166.89 26.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 43.35 110.876 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m -153.25 111.4 3.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 44.53 111.107 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.675 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 32.0 m-85 -97.92 168.13 10.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 73.51 110.908 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.406 ' H ' ' HB2' ' A' ' 83' ' ' PHE . 37.3 m-85 -151.37 118.8 6.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.96 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -123.95 160.27 52.6 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.653 0.739 . . . . 71.34 110.939 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.48 ' HB3' HG22 ' A' ' 6' ' ' ILE . 53.4 Cg_endo -69.82 93.64 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 2.262 . . . . 61.14 112.348 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 51.76 -170.8 0.37 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 63.13 112.462 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.7 t -113.66 -27.25 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 54.12 110.878 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 74.03 110.857 -179.817 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mmt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.744 0.307 . . . . 75.34 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 59.79 45.92 12.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 61.02 110.867 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -56.36 113.77 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.884 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.52 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -119.74 157.04 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 73.21 111.152 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.08 162.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 65.13 110.895 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.495 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -116.85 -21.19 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 54.04 111.113 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.622 HG23 ' HB2' ' A' ' 39' ' ' ASP . 10.5 m -153.48 98.52 2.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 71.11 111.146 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.7 Cg_endo -69.77 172.34 12.82 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.636 2.224 . . . . 72.11 112.381 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -74.2 164.8 26.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.889 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.869 HD11 ' HB3' ' A' ' 31' ' ' MET . 11.8 pt -116.87 119.46 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 71.23 111.11 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.04 -166.58 1.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 73.05 111.144 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.758 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -63.33 -20.26 65.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 73.53 110.849 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -79.88 -29.93 40.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.844 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -95.78 -32.63 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.903 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.419 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 13.3 t80 -72.14 -37.19 69.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.22 110.858 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -10.63 53.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 75.43 110.929 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 p -76.99 -9.62 58.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 74.5 111.13 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.448 ' HB ' HD21 ' A' ' 23' ' ' LEU . 2.7 mp -106.67 129.62 24.15 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 61.31 111.148 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.58 63.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 74.22 112.314 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -56.03 -24.1 37.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.864 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -63.05 -20.75 65.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 75.23 110.896 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -101.92 -38.49 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 71.41 110.906 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.448 HD21 ' HB ' ' A' ' 18' ' ' ILE . 10.1 mt -72.15 -53.52 12.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 55.43 110.935 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.27 -91.84 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 22.24 112.473 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -110.8 25.48 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 75.15 110.89 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.65 166.85 11.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.928 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 28' ' ' LEU . 4.0 m -147.15 160.32 42.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 45.24 111.167 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.758 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -51.92 -42.32 62.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 72.24 110.925 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.05 -38.04 84.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.861 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.415 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -62.43 -47.56 83.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 71.43 110.898 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.869 ' HB3' HD11 ' A' ' 10' ' ' ILE . 43.3 mtp -75.95 -32.29 59.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.854 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -58.51 -42.12 86.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.859 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.585 ' OE1' HD22 ' A' ' 97' ' ' LEU . 7.8 pt-20 -81.07 -35.0 32.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 71.12 110.937 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.705 HG23 ' CE2' ' A' ' 101' ' ' PHE . 38.8 mt -64.56 -46.11 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 61.12 111.165 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 31' ' ' MET . 19.9 t -75.45 -31.53 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.15 111.107 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 t -70.03 -48.61 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 41.32 110.838 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.57 -54.59 25.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 70.43 110.884 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.451 ' HE1' HG21 ' A' ' 114' ' ' ILE . 20.9 ptm -51.39 -39.11 56.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 62.33 110.904 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.622 ' HB2' HG23 ' A' ' 7' ' ' VAL . 49.2 t0 -68.62 -30.78 69.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 73.52 110.839 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -63.62 -49.51 73.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 64.3 110.845 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.91 -49.62 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.891 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.696 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -63.17 -33.83 76.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 74.54 110.906 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.495 ' N ' HD11 ' A' ' 6' ' ' ILE . 50.8 ttp -64.6 -40.23 95.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.889 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.556 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -69.1 -33.39 73.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 61.35 110.908 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 28.5 tptt -65.04 -53.67 42.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 72.4 110.889 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.7 p -62.45 -25.97 68.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 65.34 110.847 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -29.77 62.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 64.45 110.909 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.556 HD12 ' O ' ' A' ' 44' ' ' LYS . 6.3 mt -79.49 -32.06 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 74.3 111.103 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.826 HD11 HD21 ' A' ' 82' ' ' LEU . 5.8 mt -62.77 -19.92 64.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 63.31 110.943 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -109.36 -28.32 4.39 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 60.32 112.508 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -63.48 -175.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.367 . . . . 74.2 110.916 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.553 HG21 ' HE3' ' A' ' 54' ' ' LYS . 15.1 t -132.51 171.81 13.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 74.42 111.141 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -53.95 -30.33 46.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.904 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.553 ' HE3' HG21 ' A' ' 52' ' ' THR . 48.7 mtmt -62.39 -41.73 98.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 75.25 110.904 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 57' ' ' THR . 7.5 tp-100 -84.02 -35.52 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 65.34 110.964 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.539 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.1 tt -49.28 129.33 18.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 55' ' ' GLN . 30.4 p -127.28 -173.4 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 71.03 111.148 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -52.13 -49.96 62.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 72.13 110.877 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.592 ' O ' HG13 ' A' ' 63' ' ' VAL . 3.8 m -58.31 -30.23 66.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 64.24 110.886 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -74.43 -33.4 62.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 75.51 110.895 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.539 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -75.85 -38.19 58.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 73.24 110.852 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.92 -36.87 78.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 75.13 110.854 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 59' ' ' SER . 30.2 m -73.96 -39.85 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 73.11 111.119 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.5 HD12 ' HE3' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -62.48 -45.23 93.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 64.15 110.912 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.2 -43.71 85.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.909 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -64.05 -46.78 82.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 73.23 110.888 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.756 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.4 m0 -55.19 -51.31 66.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 73.2 110.893 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -22.94 65.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 71.04 110.884 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.32 -34.01 63.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.895 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.803 HD22 ' CG2' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -75.39 -43.9 47.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 52.31 110.885 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -67.17 -28.65 68.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 63.31 110.865 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -88.35 -16.24 33.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.906 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm -90.63 -14.38 32.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 73.22 110.913 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.756 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -74.28 1.02 12.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 64.03 111.082 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 49.1 35.5 7.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.862 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -174.06 161.27 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 73.4 110.9 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -102.99 90.85 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.897 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 mp -54.08 162.48 1.48 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.625 0.726 . . . . 64.52 110.862 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -47.55 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.718 2.279 . . . . 53.4 112.353 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.699 HG21 ' CG ' ' A' ' 126' ' ' TYR . 6.2 t -91.21 159.05 16.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 73.55 111.11 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 81' ' ' THR . 3.5 m -117.72 11.92 13.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 65.13 111.178 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.826 HD21 HD11 ' A' ' 49' ' ' LEU . 79.6 mt -123.22 67.59 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 70.35 110.953 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.558 ' HD2' HG23 ' A' ' 80' ' ' THR . 5.3 p90 -131.73 169.0 16.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 65.33 110.916 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.696 ' HD2' HD23 ' A' ' 42' ' ' LEU . 5.5 p90 -144.04 175.07 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.872 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.803 ' CG2' HD22 ' A' ' 70' ' ' LEU . 43.0 pt -106.05 148.84 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 74.41 111.113 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.92 -29.22 59.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 72.31 110.894 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.487 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -75.71 -6.13 49.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 70.14 111.12 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.463 ' O ' HD13 ' A' ' 89' ' ' ILE . 0.6 OUTLIER -96.2 -10.47 28.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 63.15 110.851 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.467 HG13 ' CE1' ' A' ' 84' ' ' PHE . 8.8 mm -123.79 -35.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 63.43 111.116 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.536 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 2.1 ttp180 -49.02 -58.16 9.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 72.33 110.886 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.3 Cg_endo -69.81 4.47 2.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.647 2.231 . . . . 73.14 112.345 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.26 -32.84 7.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 62.13 110.843 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 34' ' ' ILE . 78.5 mt -63.56 -108.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.274 -0.421 . . . . 72.35 110.911 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.505 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.2 tt0 -140.72 143.43 35.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 42.04 110.898 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -67.32 -39.61 85.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.91 18.35 4.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 73.44 110.867 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.585 HD22 ' OE1' ' A' ' 33' ' ' GLU . 13.0 tp -80.29 -23.67 40.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 73.51 110.935 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.4 mtp85 65.24 164.54 0.12 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 74.5 110.87 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 73.14 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 75.31 112.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.4 p -98.67 -30.39 12.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.881 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.705 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -50.97 -51.4 52.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.857 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.16 -22.51 11.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 74.12 111.12 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -98.64 -19.35 17.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 52.04 110.876 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.4 -15.68 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 75.34 111.11 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.631 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 15.9 mm -46.08 -52.33 27.66 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 74.24 111.154 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.81 -31.86 19.5 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.667 2.245 . . . . 71.52 112.314 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.1 m -74.94 -16.99 60.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 64.01 110.924 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.61 HD11 HG22 ' A' ' 35' ' ' VAL . 3.5 mm? -92.74 -37.78 12.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.923 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.441 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 10.2 ptm180 -80.87 -30.47 35.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 72.21 110.869 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -56.28 -22.15 28.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.873 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 15.3 pt -103.17 -7.77 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 55.22 111.16 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 71.12 56.66 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 74.14 110.88 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -117.59 -31.35 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 73.51 110.896 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.565 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.5 pp -146.94 -179.47 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 72.44 111.118 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.565 ' N ' HD12 ' A' ' 114' ' ' ILE . 7.5 mtm180 -143.86 173.56 11.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 71.53 110.879 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.566 ' OE1' HG23 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -150.43 126.37 10.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.87 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -113.49 105.94 13.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 72.53 110.87 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.83 101.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 72.4 110.896 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 13.7 m -112.9 81.59 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 71.22 110.909 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.414 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 68.59 -141.24 36.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.784 -0.722 . . . . 21.12 112.456 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.414 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 53.9 Cg_endo -69.76 5.27 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.69 2.26 . . . . 64.42 112.38 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.1 mt -120.88 176.37 5.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 63.24 110.912 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 5.4 m -158.7 120.8 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 72.02 111.143 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.756 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 49.6 m-85 -99.26 172.62 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 62.04 110.888 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -152.41 124.62 8.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.923 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.699 ' CG ' HG21 ' A' ' 80' ' ' THR . 0.5 OUTLIER -126.58 156.26 73.47 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.658 0.742 . . . . 72.52 110.898 -179.875 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 93.48 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.716 2.278 . . . . 72.14 112.344 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 50.67 -152.15 4.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.728 . . . . 63.51 112.448 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.9 t -108.88 123.79 49.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 42.31 110.892 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 63.44 110.824 -179.774 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.1 mtm . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.783 0.325 . . . . 62.03 110.868 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -119.45 157.49 28.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 73.11 110.862 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -113.27 107.17 15.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.42 110.839 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.535 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -119.57 154.81 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 63.11 111.092 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.24 146.63 27.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 74.33 110.887 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.697 HD11 ' HA ' ' A' ' 43' ' ' MET . 1.7 mp -96.93 -34.28 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 64.44 111.119 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.464 HG23 ' HB2' ' A' ' 39' ' ' ASP . 3.9 m -154.75 100.03 2.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.631 0.729 . . . . 60.15 111.091 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.3 Cg_endo -69.82 166.17 28.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.656 2.237 . . . . 71.01 112.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -59.38 162.8 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 75.35 110.922 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.782 HD11 ' HB3' ' A' ' 31' ' ' MET . 31.2 pt -117.6 135.78 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.32 111.075 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.434 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -101.27 -174.54 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.44 111.198 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.751 ' HA ' HD11 ' A' ' 28' ' ' LEU . 6.7 t0 -58.11 -21.88 48.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 71.13 110.887 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.33 -28.86 67.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.32 110.856 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.537 ' O ' HG22 ' A' ' 17' ' ' THR . 8.6 mm-40 -105.04 -43.58 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 44.02 110.891 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -56.65 -33.98 66.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.908 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -8.87 57.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 74.44 110.877 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -77.22 -7.18 55.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 73.23 111.159 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.459 HG23 ' HD2' ' A' ' 19' ' ' PRO . 3.3 mp -108.05 133.41 20.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.645 0.736 . . . . 54.53 111.15 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.459 ' HD2' HG23 ' A' ' 18' ' ' ILE . 53.9 Cg_endo -69.73 145.54 57.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 71.14 112.359 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.6 -24.03 30.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 71.24 110.901 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -62.52 -20.76 64.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.902 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -102.0 -37.12 8.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 75.41 110.894 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.443 HD21 ' HB ' ' A' ' 18' ' ' ILE . 11.0 mt -71.87 -53.82 12.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 74.03 110.947 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.38 -91.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 71.25 112.474 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.59 25.74 11.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.375 . . . . 72.11 110.891 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -99.4 164.76 11.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 63.4 110.926 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -148.14 161.95 40.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 72.41 111.149 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.751 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -50.79 -42.55 58.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 53.3 110.928 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -40.02 83.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 62.52 110.922 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.402 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -62.39 -46.11 90.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 73.44 110.934 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.782 ' HB3' HD11 ' A' ' 10' ' ' ILE . 6.4 mtt -74.47 -33.3 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 73.41 110.928 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -58.3 -42.59 86.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 61.41 110.902 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.558 ' OE1' HD22 ' A' ' 97' ' ' LEU . 6.8 pt-20 -81.27 -33.49 32.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.912 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.583 HG23 ' CE2' ' A' ' 101' ' ' PHE . 36.6 mt -66.13 -45.83 89.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 74.35 111.185 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 31' ' ' MET . 19.0 t -75.27 -33.6 28.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 64.3 111.119 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -69.69 -45.86 67.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 54.15 110.854 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -66.52 -55.24 16.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 63.33 110.935 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 24.6 ptm -52.09 -39.91 60.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 75.35 110.852 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' HB2' HG23 ' A' ' 7' ' ' VAL . 31.3 t0 -70.02 -29.13 66.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 73.41 110.865 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -64.96 -55.3 19.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 55.21 110.923 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -47.53 84.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 73.15 110.832 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.812 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -63.65 -30.02 71.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 70.31 110.907 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.697 ' HA ' HD11 ' A' ' 6' ' ' ILE . 12.8 tpt -67.64 -38.92 84.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.861 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -71.18 -37.18 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 62.01 110.896 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 4.2 tttt -63.24 -53.09 58.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 71.2 110.878 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 t -62.38 -26.57 68.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.854 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -28.79 61.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 52.25 110.914 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 44' ' ' LYS . 7.3 mt -81.27 -31.16 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 74.42 111.139 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.437 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.9 mt -63.14 -21.5 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 74.01 110.929 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -105.47 -35.14 3.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 61.12 112.504 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 tptt -55.82 176.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.885 0.374 . . . . 62.13 110.873 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 p -115.61 170.37 8.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 72.45 111.184 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -62.25 -22.4 65.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 74.12 110.862 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -72.11 -37.2 69.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 71.23 110.845 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -90.48 -31.42 16.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.913 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.743 HD21 ' HD2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -51.79 130.84 29.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 72.21 110.937 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.6 p -115.53 -174.09 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 73.34 111.146 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.2 ttm-85 -60.44 -44.12 96.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 75.44 110.914 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.556 ' O ' HG13 ' A' ' 63' ' ' VAL . 4.7 m -55.45 -35.88 65.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.839 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -73.9 -32.07 63.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 73.41 110.899 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.743 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -74.99 -44.81 46.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.43 110.848 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.43 -44.04 95.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.02 110.902 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 59' ' ' SER . 32.6 m -65.42 -42.62 93.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 63.31 111.123 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.462 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.6 OUTLIER -57.19 -45.07 84.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 63.22 110.921 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.98 -31.23 72.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 70.52 110.836 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -74.43 -41.46 60.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.51 110.878 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.626 ' HE3' HD21 ' A' ' 70' ' ' LEU . 12.9 m95 -62.48 -40.18 95.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 75.3 110.923 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -24.32 56.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.25 110.891 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -72.04 -43.28 65.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.866 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.768 HD22 HG23 ' A' ' 85' ' ' ILE . 1.8 pp -75.27 -36.47 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 75.33 110.923 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.433 ' N ' HD12 ' A' ' 70' ' ' LEU . 72.1 tt0 -66.86 -33.98 76.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 63.02 110.88 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.3 ptm -88.63 -14.48 37.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 72.4 110.882 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.432 ' HB3' HD11 ' A' ' 122' ' ' LEU . 1.3 mttt -84.34 -21.54 30.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 71.14 110.883 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.533 ' HB1' ' HB3' ' A' ' 119' ' ' CYS . . . -75.77 1.02 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 72.12 111.09 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 43.91 34.86 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 63.42 110.89 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -152.29 128.59 10.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 61.23 110.884 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.77 90.89 5.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 74.22 110.883 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.479 HD21 ' CD1' ' A' ' 124' ' ' PHE . 5.5 mp -61.66 159.82 31.14 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 64.13 110.938 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -49.03 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.684 2.256 . . . . 71.43 112.331 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.608 HG21 ' CG ' ' A' ' 126' ' ' TYR . 9.0 t -98.4 167.81 10.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 71.35 111.185 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.9 m -122.23 -21.58 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 71.12 111.134 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 82' ' ' LEU . 11.1 mt -80.68 71.79 7.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 64.14 110.904 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.42 -174.81 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 75.41 110.864 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.812 ' HD2' HD23 ' A' ' 42' ' ' LEU . 2.4 p90 -152.11 174.36 13.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 73.34 110.87 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.768 HG23 HD22 ' A' ' 70' ' ' LEU . 48.8 pt -114.26 142.16 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 72.4 111.17 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -22.75 33.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 75.33 110.899 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.66 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -69.98 -10.14 57.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.31 111.192 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -118.52 5.28 11.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 71.4 110.815 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.419 HG13 ' CE1' ' A' ' 84' ' ' PHE . 18.1 mm -124.18 -34.3 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 73.14 111.125 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.559 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 4.7 ttp180 -59.93 -56.84 31.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 64.51 110.879 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.3 Cg_endo -69.75 4.19 2.33 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 73.12 112.379 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.21 -35.35 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 64.12 110.87 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 34' ' ' ILE . 78.3 mt -63.69 -106.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.964 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.426 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -141.93 134.44 28.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 71.15 110.916 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -64.9 -20.92 66.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 72.35 110.83 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -101.12 -3.47 29.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 75.3 110.869 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.558 HD22 ' OE1' ' A' ' 33' ' ' GLU . 16.7 tp -65.52 -23.89 66.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 72.43 110.905 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.521 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 9.9 mtp180 68.61 159.41 0.15 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.631 0.729 . . . . 70.14 110.829 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.521 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 54.1 Cg_endo -69.74 70.15 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.255 . . . . 61.51 112.352 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 m -98.41 -17.55 18.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.198 -0.455 . . . . 71.54 110.854 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.583 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -50.98 -49.25 60.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.854 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.83 -22.13 13.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 65.44 111.074 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.419 ' HB3' HD12 ' A' ' 26' ' ' LEU . 2.1 mptm? -94.53 -19.57 20.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.24 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.62 -17.37 24.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 64.2 111.103 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.639 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.5 mm -46.61 -52.36 31.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 63.44 111.116 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.2 Cg_endo -69.7 -30.78 22.03 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.669 2.246 . . . . 74.31 112.384 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.4 m -76.9 -15.16 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.31 110.93 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.655 HD11 HG22 ' A' ' 35' ' ' VAL . 3.3 mm? -95.41 -33.63 12.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 63.15 110.938 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.424 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 0.3 OUTLIER -85.57 -30.2 23.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.879 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -56.44 -21.68 27.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 61.24 110.843 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.546 HD12 ' CD ' ' A' ' 113' ' ' ARG . 19.1 pt -98.22 -10.57 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 61.31 111.107 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.7 58.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.851 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.546 ' CD ' HD12 ' A' ' 111' ' ' ILE . 20.4 mtp85 -124.51 -35.28 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 73.32 110.861 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.576 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.3 pp -142.05 171.0 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 74.23 111.087 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.576 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.3 OUTLIER -139.1 174.6 10.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.846 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -147.08 129.22 15.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.865 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -113.31 106.4 14.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 72.01 110.891 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -80.48 102.6 9.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 73.44 110.84 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.533 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 6.7 m -126.5 95.13 4.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 64.44 110.864 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 58.78 -149.29 37.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 72.35 112.478 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 40.95 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.637 2.224 . . . . 63.42 112.351 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 73' ' ' LYS . 60.8 mt -150.4 167.76 26.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 74.12 110.927 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.1 113.69 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 74.41 111.151 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.479 ' CD1' HD21 ' A' ' 78' ' ' LEU . 22.3 m-85 -96.17 163.79 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.4 110.886 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -150.9 118.55 6.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 65.44 110.945 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.608 ' CG ' HG21 ' A' ' 80' ' ' THR . 0.3 OUTLIER -121.26 157.02 56.92 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.659 0.743 . . . . 75.04 110.951 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.427 ' HG3' HG21 ' A' ' 6' ' ' ILE . 53.4 Cg_endo -69.8 80.75 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 42.42 112.306 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 47.85 86.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 74.04 112.496 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 t -52.3 -38.04 57.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 73.31 110.853 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 63.25 110.872 -179.794 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 mmt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.751 0.31 . . . . 73.43 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -61.87 -37.07 83.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 72.33 110.909 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -83.4 98.41 9.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 54.01 110.884 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.544 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -119.82 154.05 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.43 111.099 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.422 ' H ' ' NE ' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -55.06 158.44 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 62.05 110.898 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.471 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -116.58 -25.76 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 74.12 111.142 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.676 HG23 ' HB2' ' A' ' 39' ' ' ASP . 5.7 m -154.69 99.52 2.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 71.53 111.125 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 174.21 9.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 74.04 112.329 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.79 159.9 33.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.878 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.897 HD11 ' HB3' ' A' ' 31' ' ' MET . 8.9 pt -115.56 116.76 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 62.13 111.159 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.21 -169.43 2.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 61.02 111.136 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.771 ' HA ' HD11 ' A' ' 28' ' ' LEU . 2.4 t70 -60.35 -20.72 60.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 73.11 110.89 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.47 -29.36 59.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 54.35 110.883 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 79.4 mm-40 -99.34 -34.24 10.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 63.4 110.867 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -68.6 -38.62 80.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.41 110.865 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -13.64 60.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 60.2 110.893 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 p -77.97 -9.7 59.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 74.21 111.094 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.423 ' HB ' HD21 ' A' ' 23' ' ' LEU . 4.0 mt -102.7 127.55 29.94 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.628 0.728 . . . . 65.15 111.151 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 148.67 65.94 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.7 2.267 . . . . 63.04 112.395 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -56.36 -24.15 42.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 73.55 110.921 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -63.1 -20.41 65.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 74.03 110.886 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -102.24 -36.82 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 72.34 110.92 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.423 HD21 ' HB ' ' A' ' 18' ' ' ILE . 8.6 mt -73.25 -53.01 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 71.3 110.936 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.94 -89.38 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 73.4 112.46 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -118.08 23.86 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 71.22 110.886 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.404 HD23 ' CB ' ' A' ' 30' ' ' MET . 0.2 OUTLIER -97.07 176.2 6.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.912 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -155.19 165.01 38.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 72.11 111.153 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.771 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -51.65 -40.99 61.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 42.44 110.913 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.01 -41.74 97.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.9 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.404 ' CB ' HD23 ' A' ' 26' ' ' LEU . 2.6 mtt -62.68 -43.0 99.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 60.35 110.862 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.897 ' HB3' HD11 ' A' ' 10' ' ' ILE . 69.3 mtp -75.69 -35.28 60.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 71.11 110.893 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -57.88 -43.16 85.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 64.22 110.826 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.713 ' OE1' HD22 ' A' ' 97' ' ' LEU . 7.6 pt-20 -78.07 -34.67 50.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.901 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.596 ' HA ' HD21 ' A' ' 93' ' ' LEU . 43.8 mt -65.57 -47.03 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 71.11 111.15 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.783 HG22 HD11 ' A' ' 108' ' ' LEU . 16.6 t -73.24 -27.27 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 72.32 111.152 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -74.88 -53.76 8.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 60.44 110.847 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -59.82 -49.66 76.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 71.22 110.931 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.583 ' HA ' HD12 ' A' ' 89' ' ' ILE . 13.1 ttt -57.91 -45.26 86.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 71.51 110.88 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.676 ' HB2' HG23 ' A' ' 7' ' ' VAL . 52.0 t0 -62.76 -29.31 70.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.853 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.6 -52.24 40.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 75.41 110.804 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.503 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -66.14 -36.02 82.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.889 -179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -75.37 -28.66 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 71.21 110.894 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.471 ' N ' HD11 ' A' ' 6' ' ' ILE . 5.1 tpt -71.67 -42.82 67.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 73.23 110.842 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -70.5 -36.99 74.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 42.11 110.892 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -63.9 -53.26 53.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.5 110.908 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 t -61.32 -26.75 68.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 73.45 110.864 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -28.55 62.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 72.12 110.863 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.4 mt -79.48 -32.66 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 64.12 111.188 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.446 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.7 mt -64.55 -19.53 65.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 72.53 110.889 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.88 36.71 2.07 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.805 -0.712 . . . . 54.32 112.504 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.11 145.24 30.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 71.12 110.888 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.71 148.91 37.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 73.01 111.17 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -61.75 -20.19 63.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 42.3 110.902 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -64.33 -37.53 87.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 70.11 110.867 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.442 ' O ' HG23 ' A' ' 57' ' ' THR . 1.7 mm100 -94.93 -31.67 13.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 63.52 110.914 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.403 HD23 ' C ' ' A' ' 56' ' ' LEU . 9.0 tt -61.21 128.68 37.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 74.34 110.851 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 55' ' ' GLN . 27.3 p -131.01 -173.6 3.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 60.34 111.095 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -51.89 -38.85 57.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.888 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.545 ' O ' HG13 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -51.52 -33.3 31.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 63.41 110.827 -179.79 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' OD1' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -73.99 -34.79 64.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 70.34 110.881 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.26 -30.99 48.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 73.12 110.848 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.96 -34.61 64.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 53.22 110.887 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 59' ' ' SER . 34.1 m -79.87 -42.63 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.03 111.14 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.467 ' N ' HG23 ' A' ' 63' ' ' VAL . 3.2 mp -63.0 -48.05 80.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.896 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.22 -44.39 79.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 64.23 110.859 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -64.75 -43.89 91.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 61.54 110.913 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 27.4 m0 -68.2 -35.56 78.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 72.04 110.896 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -24.28 44.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 72.51 110.851 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -74.28 -42.77 59.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 74.51 110.866 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 71' ' ' GLU . 2.8 pp -76.1 -38.86 56.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.921 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.614 ' N ' HD12 ' A' ' 70' ' ' LEU . 1.7 pp20? -67.07 -31.24 71.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 60.01 110.885 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.4 ptm -85.55 -19.69 30.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 65.15 110.89 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.35 0.15 42.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 75.54 110.887 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.403 ' HB1' ' CB ' ' A' ' 119' ' ' CYS . . . -73.68 0.42 12.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 62.24 111.114 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 55.05 57.89 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.857 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -160.1 156.42 26.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.928 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.95 97.95 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 64.03 110.883 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.633 HD11 ' SG ' ' A' ' 119' ' ' CYS . 6.4 mp -99.38 111.2 60.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.639 0.733 . . . . 72.32 110.955 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -26.6 27.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.647 2.231 . . . . 61.33 112.346 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.654 HG21 ' CD1' ' A' ' 126' ' ' TYR . 2.6 t -83.21 157.42 22.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 65.3 111.161 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 58.0 m -115.84 -28.21 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 53.24 111.179 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 82' ' ' LEU . 10.8 mt -96.09 73.33 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 71.22 110.876 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.648 ' HD2' HG23 ' A' ' 80' ' ' THR . 6.5 p90 -129.12 160.4 32.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 70.01 110.915 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -133.32 174.71 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 71.0 110.861 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.532 HD12 ' OG1' ' A' ' 87' ' ' THR . 22.9 pt -111.95 159.49 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 65.2 111.134 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.0 -25.69 59.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.845 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.532 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -70.73 -8.08 49.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 73.3 111.189 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.71 0.57 16.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 73.22 110.849 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 38' ' ' MET . 19.4 mm -123.36 -41.31 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 74.33 111.136 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.52 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 12.4 ttt-85 -56.25 -58.38 16.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.665 0.745 . . . . 74.44 110.842 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.4 Cg_endo -69.73 12.2 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.69 2.26 . . . . 74.41 112.323 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.409 ' H ' ' C ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -114.53 -23.62 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.884 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.596 HD21 ' HA ' ' A' ' 34' ' ' ILE . 25.5 mt -71.14 -113.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 72.02 110.919 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.55 136.39 50.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 64.43 110.896 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.19 -22.28 66.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 75.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -101.02 -3.47 29.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.51 110.868 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.713 HD22 ' OE1' ' A' ' 33' ' ' GLU . 37.3 tp -65.95 -18.82 65.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.931 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.487 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 13.0 mmt180 64.43 157.55 0.12 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.645 0.736 . . . . 73.52 110.863 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.487 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.4 Cg_endo -69.8 71.64 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.65 2.233 . . . . 74.15 112.393 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.0 m -97.71 -16.14 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 62.32 110.883 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.502 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -50.81 -49.86 57.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 73.55 110.889 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.04 -23.12 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 51.42 111.102 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.59 -23.0 17.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 73.33 110.894 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.29 -14.54 40.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 71.11 111.091 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.636 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.9 mm -45.82 -52.24 26.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.661 0.743 . . . . 64.43 111.129 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.75 -28.98 24.65 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 73.11 112.317 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.448 ' HB2' ' HE3' ' A' ' 31' ' ' MET . 8.1 m -75.89 -16.93 59.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 72.31 110.871 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.783 HD11 HG22 ' A' ' 35' ' ' VAL . 2.3 mm? -90.92 -37.56 13.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.884 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.408 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 10.2 ptt85 -83.29 -28.83 28.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 75.12 110.874 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -56.51 -22.65 34.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.897 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.512 HD12 ' CD ' ' A' ' 113' ' ' ARG . 12.1 pt -99.26 -8.25 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 72.22 111.139 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 72.92 58.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 73.34 110.838 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.512 ' CD ' HD12 ' A' ' 111' ' ' ILE . 60.8 mtt180 -123.17 -40.15 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 75.15 110.887 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 pp -149.13 161.9 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 65.41 111.088 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -127.01 178.28 6.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.847 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.43 127.72 32.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 64.21 110.896 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.07 105.11 13.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 62.42 110.886 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.0 tpp85 -73.74 102.97 4.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 61.53 110.865 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.633 ' SG ' HD11 ' A' ' 78' ' ' LEU . 8.5 m -115.85 82.03 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.883 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.54 -139.02 34.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 63.55 112.487 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 1.78 4.16 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.724 2.283 . . . . 72.12 112.29 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.3 mp -119.75 177.89 4.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 73.51 110.918 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.4 m -157.61 125.77 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 64.35 111.136 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.483 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 68.2 m-85 -106.71 173.41 6.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 73.24 110.887 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -150.11 129.04 12.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 73.03 110.932 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.654 ' CD1' HG21 ' A' ' 80' ' ' THR . 5.5 p90 -121.01 147.11 45.63 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.664 0.745 . . . . 73.22 110.944 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 80.68 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 71.44 112.384 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 47.55 88.56 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 73.15 112.482 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.07 114.87 11.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.817 0.342 . . . . 71.32 110.847 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.827 -179.804 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 ptm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.784 0.326 . . . . 72.14 110.865 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.548 ' OD1' HG23 ' A' ' 4' ' ' ILE . 10.5 p30 -103.84 171.65 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 60.02 110.882 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.72 103.26 15.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 71.52 110.87 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.548 HG23 ' OD1' ' A' ' 2' ' ' ASN . 1.2 pp -117.59 155.81 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 71.11 111.124 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -60.66 146.5 45.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.854 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.751 HD13 ' HB3' ' A' ' 42' ' ' LEU . 3.0 mp -93.89 -35.7 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 74.01 111.119 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.414 ' O ' HG23 ' A' ' 7' ' ' VAL . 22.7 m -151.81 120.67 3.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.642 0.734 . . . . 73.53 111.107 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -168.97 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.695 2.263 . . . . 71.55 112.335 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -95.88 170.44 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 53.2 110.973 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.847 HD11 ' HB3' ' A' ' 31' ' ' MET . 10.9 pt -115.99 121.29 67.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 75.52 111.123 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.32 -167.44 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 61.11 111.17 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.684 ' HA ' HD11 ' A' ' 28' ' ' LEU . 5.1 t70 -59.19 -20.12 51.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 64.12 110.896 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -82.77 -29.18 29.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 71.41 110.885 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -92.6 -37.92 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.54 110.872 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.466 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 10.8 t80 -68.65 -36.1 78.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 73.42 110.915 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -12.27 59.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 70.12 110.875 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 p -77.5 -10.03 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 63.02 111.124 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.477 ' HB ' HD21 ' A' ' 23' ' ' LEU . 2.7 mp -108.53 128.0 26.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.636 0.731 . . . . 74.14 111.14 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 152.67 69.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 71.31 112.376 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -20.84 57.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 73.43 110.941 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -63.74 -24.88 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 64.43 110.874 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -99.99 -39.54 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 70.23 110.912 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.477 HD21 ' HB ' ' A' ' 18' ' ' ILE . 13.8 mt -69.17 -54.22 16.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 64.21 110.939 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.31 -87.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 60.1 112.487 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -117.98 19.95 13.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 73.25 110.892 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.585 HD12 ' HB3' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -89.08 158.87 17.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 70.54 110.959 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.1 m -136.63 154.41 50.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.106 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.684 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -50.09 -41.53 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 75.23 110.905 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -38.32 87.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 51.0 110.839 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.455 ' HB2' HD23 ' A' ' 26' ' ' LEU . 2.1 mtt -64.43 -46.39 83.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 63.43 110.845 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.847 ' HB3' HD11 ' A' ' 10' ' ' ILE . 58.8 mtp -75.2 -32.22 61.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 64.21 110.915 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.53 -40.95 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 73.21 110.888 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.602 ' OE2' HD13 ' A' ' 97' ' ' LEU . 13.2 pt-20 -81.65 -27.7 33.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 72.4 110.893 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.656 HG23 ' CE2' ' A' ' 101' ' ' PHE . 34.2 mt -72.06 -47.67 53.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 72.45 111.103 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 31' ' ' MET . 21.1 t -73.52 -36.11 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 32.23 111.122 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -64.02 -51.89 62.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 62.12 110.876 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -39.27 94.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.23 110.893 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -46.22 83.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 62.44 110.848 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -66.96 -30.8 71.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 61.31 110.847 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.51 -57.81 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 65.43 110.854 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.54 ' HD2' HD11 ' A' ' 89' ' ' ILE . 9.2 t80 -60.29 -47.78 84.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 71.14 110.892 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.751 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -62.9 -31.05 72.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 63.12 110.91 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.669 ' HA ' HD11 ' A' ' 6' ' ' ILE . 64.9 ttp -66.18 -39.06 89.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 74.51 110.879 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.635 ' O ' HD12 ' A' ' 48' ' ' ILE . 4.6 ptmt -71.32 -36.52 71.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.931 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -63.05 -52.78 61.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 33.03 110.871 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 t -64.03 -25.24 68.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 53.14 110.852 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -28.86 62.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 61.4 110.891 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 44' ' ' LYS . 4.9 mt -83.32 -31.96 8.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 72.1 111.136 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.458 ' N ' HD23 ' A' ' 49' ' ' LEU . 4.3 mt -61.04 -19.51 61.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.872 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.73 -27.58 4.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 44.03 112.469 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -63.24 -173.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 74.04 110.874 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.7 p -135.55 -175.61 4.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 64.22 111.157 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -64.35 -17.97 64.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 74.34 110.849 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.4 -44.55 71.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.879 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -87.87 -32.55 18.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 75.23 110.975 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.556 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.8 tt -50.82 124.29 10.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.878 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.84 -173.18 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 45.32 111.118 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.3 mtm-85 -54.65 -50.11 68.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 71.43 110.835 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.583 ' O ' HG13 ' A' ' 63' ' ' VAL . 4.2 m -60.58 -26.06 66.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 73.55 110.864 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -74.9 -32.64 61.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 72.25 110.878 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.556 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -75.17 -38.45 60.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.828 -179.877 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.63 -38.6 77.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.55 110.896 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 59' ' ' SER . 27.0 m -71.0 -40.13 75.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 75.31 111.129 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -63.71 -42.58 97.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 75.54 110.919 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -37.59 87.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 64.14 110.853 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -74.44 -41.51 60.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 72.4 110.922 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -51.88 67.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.905 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -22.37 61.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 73.33 110.872 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -67.98 -45.78 73.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 73.21 110.876 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.711 HD22 ' CG2' ' A' ' 85' ' ' ILE . 3.5 pp -75.92 -33.45 59.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.93 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.694 ' N ' HD12 ' A' ' 70' ' ' LEU . 18.8 tp10 -71.31 -27.68 63.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 53.31 110.899 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.0 ptm -89.03 -23.22 22.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 73.44 110.867 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HD2' HD11 ' A' ' 122' ' ' LEU . 0.1 OUTLIER -86.35 -12.52 49.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 72.15 110.928 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.5 ' HB2' ' HZ ' ' A' ' 124' ' ' PHE . . . -71.27 -1.93 14.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 64.1 111.06 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 46.84 45.35 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.851 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -179.17 124.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 71.31 110.923 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -79.71 90.8 5.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 71.01 110.869 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 124' ' ' PHE . 2.5 mp -54.54 158.83 3.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.637 0.732 . . . . 72.31 110.884 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -49.2 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.736 2.29 . . . . 62.02 112.328 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.73 169.46 10.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 74.41 111.113 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.7 t -124.56 -32.26 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 75.01 111.153 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.477 ' HB3' HD11 ' A' ' 42' ' ' LEU . 28.1 mt -75.02 71.67 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 72.31 110.938 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.548 ' CA ' HD21 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -136.71 -174.32 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.3 110.894 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.738 ' HD2' HD23 ' A' ' 42' ' ' LEU . 3.6 p90 -159.14 163.61 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 70.23 110.924 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.711 ' CG2' HD22 ' A' ' 70' ' ' LEU . 39.3 pt -101.61 142.54 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.04 111.132 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.17 -25.84 59.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 71.25 110.897 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.82 -7.57 53.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.32 111.145 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -101.24 -20.2 15.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.898 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.54 HD11 ' HD2' ' A' ' 41' ' ' PHE . 18.4 mm -105.42 -32.49 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 72.5 111.131 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.486 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 1.6 mtp-105 -47.2 -60.87 3.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 74.31 110.858 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.0 Cg_endo -69.72 5.12 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.676 2.251 . . . . 71.2 112.346 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.05 -35.4 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 44.05 110.915 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.3 mt -61.5 -112.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 54.12 110.894 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.511 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 4.1 tt0 -139.28 143.28 37.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 74.25 110.941 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.67 -39.87 91.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 53.03 110.875 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -90.3 21.37 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.857 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.602 HD13 ' OE2' ' A' ' 33' ' ' GLU . 8.1 tp -79.69 -23.88 42.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 60.01 110.934 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.7 mtt-85 64.03 164.89 0.12 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.576 0.703 . . . . 74.45 110.863 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 71.84 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.254 . . . . 71.01 112.333 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.51 -31.89 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 64.05 110.882 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.656 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -50.3 -53.87 25.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 74.44 110.887 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.05 -22.44 15.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 63.45 111.095 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.585 ' HB3' HD12 ' A' ' 26' ' ' LEU . 12.3 mptt -95.44 -19.28 20.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 61.12 110.855 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.41 -18.51 23.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 73.15 111.132 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.638 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 6.8 mm -47.18 -51.95 38.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 70.42 111.126 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.75 -20.01 35.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.246 . . . . 74.1 112.334 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.9 m -85.65 -25.47 26.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 64.4 110.895 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.5 HD23 ' N ' ' A' ' 108' ' ' LEU . 2.5 mt -78.88 -32.08 45.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 70.32 110.913 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -82.49 -32.64 28.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.815 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -57.86 -19.68 30.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 62.25 110.879 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.632 HD12 ' CD ' ' A' ' 113' ' ' ARG . 12.0 pt -102.8 -12.66 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 65.33 111.124 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 68.48 54.07 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 52.34 110.902 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.632 ' CD ' HD12 ' A' ' 111' ' ' ILE . 27.3 mtp85 -118.29 -26.76 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.865 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.571 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.6 pp -147.79 175.98 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 72.03 111.141 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.571 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.4 OUTLIER -137.02 170.74 15.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.856 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.49 ' HG2' HG23 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -148.3 126.88 12.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.876 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -113.41 104.02 11.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 72.22 110.902 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.62 102.99 2.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 72.45 110.839 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 5.1 m -118.26 82.03 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.847 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 66.76 -139.71 37.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 70.53 112.474 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 54.2 Cg_endo -69.7 1.74 4.13 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.26 . . . . 60.42 112.335 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.443 HD11 ' HD2' ' A' ' 73' ' ' LYS . 5.4 mt -118.0 177.06 4.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 75.01 110.87 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.0 m -161.72 121.6 2.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 72.34 111.105 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.5 ' HZ ' ' HB2' ' A' ' 74' ' ' ALA . 12.2 m-85 -96.01 167.68 11.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 63.33 110.898 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -150.35 117.41 5.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 64.43 110.933 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -122.37 161.04 45.41 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.636 0.731 . . . . 75.22 110.954 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.52 ' HB3' HG22 ' A' ' 6' ' ' ILE . 53.8 Cg_endo -69.67 95.23 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 72.43 112.363 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 52.99 -173.4 0.35 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.787 -0.72 . . . . 65.13 112.528 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.5 t -110.8 -29.33 8.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 65.15 110.84 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 74.12 110.877 -179.829 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.5 mmm . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.793 0.33 . . . . 53.22 110.892 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 61.85 36.42 16.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 44.43 110.924 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -123.85 103.79 8.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.34 110.832 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.532 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -119.87 156.75 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 44.4 111.138 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.27 165.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 71.2 110.88 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.471 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -116.58 -22.69 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 72.32 111.171 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.72 HG23 ' HB2' ' A' ' 39' ' ' ASP . 14.1 m -153.31 98.67 2.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.573 0.701 . . . . 65.43 111.09 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.3 Cg_endo -69.82 157.28 60.79 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 73.44 112.317 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 171.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 63.05 110.91 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.84 HD11 ' HB3' ' A' ' 31' ' ' MET . 8.2 pt -121.0 121.85 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 61.31 111.146 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.87 -166.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 72.41 111.153 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.811 ' HA ' HD11 ' A' ' 28' ' ' LEU . 2.9 t70 -64.75 -19.9 66.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.4 110.848 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -82.64 -30.23 29.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 74.23 110.902 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -92.87 -33.99 14.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 74.33 110.869 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.513 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 18.3 t80 -72.1 -35.87 69.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 64.45 110.836 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -67.05 -11.16 56.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 72.43 110.894 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p -76.73 -8.44 57.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 72.3 111.123 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.427 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.0 mp -107.52 129.72 23.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 65.54 111.138 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 148.07 64.12 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.718 2.279 . . . . 62.24 112.323 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -56.51 -24.05 43.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.887 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -62.9 -22.21 66.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.905 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -100.27 -38.23 8.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 62.15 110.887 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.513 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 12.4 mt -70.06 -54.22 14.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 73.32 110.94 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.4 -90.15 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 61.13 112.492 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -114.29 23.17 13.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.824 0.345 . . . . 72.43 110.901 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' HB3' ' A' ' 103' ' ' LYS . 0.2 OUTLIER -97.96 156.27 16.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 73.4 110.911 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 28' ' ' LEU . 4.8 m -135.08 159.48 41.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 41.34 111.145 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.811 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -49.25 -44.49 43.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 64.02 110.914 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.16 -36.49 79.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.862 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.79 ' HA ' HD11 ' A' ' 97' ' ' LEU . 1.5 mmt -64.65 -47.98 76.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 63.23 110.865 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.84 ' HB3' HD11 ' A' ' 10' ' ' ILE . 95.3 mtp -74.93 -31.19 61.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.848 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -59.92 -48.07 83.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 65.13 110.927 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.717 ' OE2' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -75.93 -26.2 56.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 73.02 110.896 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.489 HG23 ' CZ ' ' A' ' 101' ' ' PHE . 34.2 mt -72.68 -52.24 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 74.35 111.151 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 31' ' ' MET . 12.5 t -66.58 -28.13 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 62.24 111.181 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -42.41 64.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.878 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.654 ' HG3' HD23 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -65.11 -58.1 6.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 71.11 110.881 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -41.7 66.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 73.45 110.862 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.72 ' HB2' HG23 ' A' ' 7' ' ' VAL . 45.7 t0 -64.22 -30.9 71.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 63.31 110.855 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -66.31 -49.52 66.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 71.42 110.879 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.55 -50.42 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.702 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -63.19 -29.04 70.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 64.21 110.935 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.471 ' N ' HD11 ' A' ' 6' ' ' ILE . 40.6 ttp -67.41 -40.54 85.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 71.33 110.879 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.568 ' O ' HD12 ' A' ' 48' ' ' ILE . 1.7 ptmm? -70.34 -35.2 73.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 61.21 110.922 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -64.18 -53.14 54.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 71.43 110.929 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -62.03 -27.14 68.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 71.14 110.849 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -29.05 62.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.893 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 44' ' ' LYS . 5.7 mt -79.45 -32.04 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.52 111.114 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.528 HD11 HD21 ' A' ' 82' ' ' LEU . 5.7 mt -64.11 -19.08 65.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 72.14 110.893 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -106.67 -36.5 2.59 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 54.34 112.474 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -178.4 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 71.25 110.913 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.67 HG23 ' H ' ' A' ' 54' ' ' LYS . 14.8 t -125.72 173.74 8.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 60.52 111.165 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -56.42 -25.98 51.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 73.52 110.928 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.67 ' H ' HG23 ' A' ' 52' ' ' THR . 47.0 mtpt -65.31 -42.08 93.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.886 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -82.76 -35.83 26.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 75.21 110.908 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.719 HD21 ' HD2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -49.92 130.05 21.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 73.13 110.922 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.64 -173.61 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 62.52 111.155 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -50.9 -52.68 39.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 55.12 110.898 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.593 ' O ' HG13 ' A' ' 63' ' ' VAL . 4.3 m -55.97 -31.17 62.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 75.23 110.873 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -74.59 -33.68 62.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 65.41 110.883 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.719 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -75.98 -35.86 59.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.89 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.27 -35.63 71.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 62.21 110.867 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 59' ' ' SER . 28.4 m -75.17 -38.86 42.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 63.12 111.093 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.537 HD12 ' HE3' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -65.25 -45.65 83.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 63.53 110.92 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.15 -35.73 80.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 63.11 110.897 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -73.97 -41.59 61.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 61.2 110.851 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.537 ' HE3' HD12 ' A' ' 64' ' ' LEU . 13.6 m0 -60.0 -42.26 93.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.902 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.92 -23.86 58.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.81 -42.75 60.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 71.45 110.867 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.73 HD22 ' CG2' ' A' ' 85' ' ' ILE . 2.8 pp -73.8 -37.96 64.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 64.03 110.906 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.617 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.5 tm-20 -66.75 -34.08 77.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 52.54 110.889 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.1 ptm -88.49 -12.3 43.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.835 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -87.4 -20.28 26.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 72.2 110.91 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.525 ' HB1' ' HB3' ' A' ' 119' ' ' CYS . . . -73.56 -0.4 15.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 74.33 111.153 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 48.1 55.55 8.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.888 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 177.64 129.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 52.43 110.866 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -81.89 90.78 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 74.52 110.896 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.552 HD21 ' CD1' ' A' ' 124' ' ' PHE . 5.6 mp -56.13 159.01 6.4 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.635 0.731 . . . . 65.12 110.914 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -48.43 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.68 2.254 . . . . 61.33 112.381 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.36 160.43 16.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 72.34 111.103 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.1 m -119.24 -10.62 9.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 73.31 111.118 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.528 HD21 HD11 ' A' ' 49' ' ' LEU . 11.7 mt -101.03 74.85 1.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 54.41 110.946 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.04 -174.91 3.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 75.21 110.887 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.702 ' HD2' HD23 ' A' ' 42' ' ' LEU . 4.4 p90 -154.17 160.53 41.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.852 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.73 ' CG2' HD22 ' A' ' 70' ' ' LEU . 29.0 pt -99.97 142.65 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 64.34 111.126 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.39 -21.09 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 74.31 110.903 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -8.25 52.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.41 111.119 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -114.38 0.36 14.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 72.01 110.892 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -123.37 -35.44 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 73.53 111.091 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.52 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 11.4 ttm180 -48.81 -58.48 8.38 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.738 . . . . 71.54 110.9 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.71 6.17 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.728 2.285 . . . . 73.14 112.345 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.25 -27.46 10.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.51 110.862 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.717 HD22 ' OE2' ' A' ' 33' ' ' GLU . 22.2 mt -63.94 -112.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 71.51 110.925 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.446 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 2.4 mt-30 -142.63 125.84 16.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 54.53 110.911 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -63.91 -17.25 63.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 74.14 110.865 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -101.14 -6.91 23.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 75.02 110.839 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.79 HD11 ' HA ' ' A' ' 30' ' ' MET . 12.4 tp -69.61 -18.16 63.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 43.51 110.9 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 65.08 164.51 0.12 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.56 0.695 . . . . 74.15 110.883 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 70.17 1.6 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.704 2.269 . . . . 61.4 112.323 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.42 -23.31 16.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 52.35 110.848 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.489 ' CZ ' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -51.6 -50.92 59.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.907 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.68 -21.95 12.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 51.32 111.08 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.454 ' HB3' HD12 ' A' ' 26' ' ' LEU . 4.3 mptp? -97.78 -20.33 17.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 74.21 110.944 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.36 -17.06 31.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 51.03 111.077 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.635 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 10.7 mm -46.32 -52.41 28.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 51.22 111.132 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.8 Cg_endo -69.79 -28.82 24.64 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.674 2.25 . . . . 74.24 112.352 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.414 ' HB2' ' HE3' ' A' ' 31' ' ' MET . 11.1 m -76.16 -18.12 59.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.903 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.687 HD11 HG22 ' A' ' 35' ' ' VAL . 3.4 mm? -91.5 -35.92 14.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 74.51 110.923 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.42 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 10.5 ptt180 -83.51 -29.45 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 63.24 110.85 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -56.64 -21.21 25.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 63.33 110.84 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 11.5 pt -102.88 -7.86 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.44 111.135 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.27 56.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 75.34 110.853 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.45 ' HG3' HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -118.43 -31.99 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.891 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.578 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.6 pp -146.59 179.72 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 63.43 111.168 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.578 ' N ' HD12 ' A' ' 114' ' ' ILE . 1.1 mtt180 -143.41 172.54 12.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 75.14 110.877 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.35 126.89 15.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.896 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.59 106.39 14.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 51.53 110.894 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.25 102.48 10.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.889 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.525 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 4.8 m -125.35 97.59 5.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 71.1 110.884 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.403 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 57.58 -149.63 32.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 64.12 112.456 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 40.98 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.681 2.254 . . . . 64.23 112.329 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.403 ' H ' ' C ' ' A' ' 120' ' ' GLY . 54.2 mt -150.97 169.45 21.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 64.41 110.864 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -152.98 113.05 3.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 70.14 111.145 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.552 ' CD1' HD21 ' A' ' 78' ' ' LEU . 25.9 m-85 -95.82 163.33 13.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 75.51 110.876 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -150.34 118.06 6.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 71.03 110.939 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -121.28 149.27 51.53 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.683 0.754 . . . . 72.44 110.927 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 89.31 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 42.44 112.378 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 48.64 86.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 54.31 112.473 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.23 -34.21 31.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 72.42 110.886 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 40.0 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 72.34 110.873 -179.827 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.803 0.335 . . . . 75.4 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -106.14 175.05 5.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.922 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -112.97 110.55 20.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 71.21 110.885 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.522 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -119.59 155.77 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 73.12 111.16 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.62 159.05 9.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.839 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.526 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -117.45 -22.55 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 63.12 111.162 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.545 HG23 ' HB2' ' A' ' 39' ' ' ASP . 11.8 m -153.16 99.21 2.71 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.642 0.734 . . . . 74.02 111.132 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 54.0 Cg_endo -69.74 173.11 11.44 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.244 . . . . 63.31 112.355 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -71.78 161.76 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 75.44 110.922 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.832 HD11 ' HB3' ' A' ' 31' ' ' MET . 17.6 pt -114.93 129.02 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 63.45 111.112 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.443 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -96.61 -171.69 2.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 74.24 111.153 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.744 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -60.19 -21.0 61.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 72.44 110.928 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -72.52 -29.14 63.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 63.52 110.915 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.524 ' O ' HG22 ' A' ' 17' ' ' THR . 5.8 mm-40 -101.46 -45.33 5.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 65.2 110.923 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -55.85 -34.02 65.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 74.51 110.928 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -9.36 58.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 72.2 110.915 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -78.27 -2.4 37.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 72.41 111.127 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.422 HG23 ' HD2' ' A' ' 19' ' ' PRO . 3.4 mp -114.61 132.82 22.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.644 0.735 . . . . 50.14 111.098 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HD2' HG23 ' A' ' 18' ' ' ILE . 53.3 Cg_endo -69.75 150.03 67.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 73.34 112.343 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -58.41 -24.39 59.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.44 110.898 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -63.69 -20.43 65.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 71.34 110.891 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -104.68 -33.71 8.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 26' ' ' LEU . 82.2 mt -60.5 -59.01 6.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 61.45 110.882 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.94 70.6 1.02 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.734 . . . . 32.23 112.495 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 67.06 11.59 8.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 71.23 110.863 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 23' ' ' LEU . 1.9 mt -75.27 159.1 31.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.901 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.72 154.28 45.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 52.23 111.129 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.744 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -49.95 -42.19 48.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.863 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.54 -39.8 85.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 51.33 110.871 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 61.8 mtt -64.05 -46.32 84.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 71.23 110.86 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.832 ' HB3' HD11 ' A' ' 10' ' ' ILE . 49.2 mtt -74.27 -31.81 62.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.858 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -60.46 -42.63 96.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.01 110.923 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.677 ' OE2' HD13 ' A' ' 97' ' ' LEU . 11.1 pt-20 -79.86 -27.88 40.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 64.4 110.873 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.676 HG22 ' HE3' ' A' ' 38' ' ' MET . 46.3 mt -72.94 -45.89 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 53.54 111.127 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 31' ' ' MET . 21.9 t -74.37 -28.69 23.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 71.44 111.133 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -72.24 -52.89 14.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 63.33 110.823 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.447 ' HB2' HD23 ' A' ' 93' ' ' LEU . 4.2 mmtt -62.39 -50.19 72.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 63.05 110.875 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.676 ' HE3' HG22 ' A' ' 34' ' ' ILE . 7.6 ptp -54.63 -38.14 66.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.891 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.545 ' HB2' HG23 ' A' ' 7' ' ' VAL . 48.6 t0 -68.64 -29.25 67.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 74.04 110.834 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.66 -47.95 65.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.445 . . . . 63.24 110.821 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.02 -40.01 87.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.841 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.783 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -72.39 -32.09 66.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 64.13 110.897 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.526 ' N ' HD11 ' A' ' 6' ' ' ILE . 60.0 ttp -67.54 -41.33 84.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.874 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' O ' HD12 ' A' ' 48' ' ' ILE . 18.3 ptpt -71.08 -34.41 71.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 72.35 110.925 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.54 ' CG ' HD23 ' A' ' 82' ' ' LEU . 22.2 tptt -63.8 -53.22 54.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.867 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.523 ' HA ' HD21 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -64.17 -24.93 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 63.53 110.858 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -28.87 62.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 51.15 110.878 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 44' ' ' LYS . 8.0 mt -81.92 -31.8 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.123 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.448 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.5 mt -62.62 -19.65 63.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 52.12 110.935 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -108.64 -35.26 2.46 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.729 . . . . 64.1 112.526 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -53.7 174.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 70.05 110.87 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.52 HG23 ' H ' ' A' ' 55' ' ' GLN . 9.0 t -112.51 167.75 10.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 64.23 111.127 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.93 -23.54 65.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 61.11 110.902 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -75.77 -39.7 56.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 74.3 110.888 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.52 ' H ' HG23 ' A' ' 52' ' ' THR . 8.9 tp-100 -82.58 -31.57 28.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.878 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.735 HD21 ' HD2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -51.64 136.51 26.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 50.1 110.896 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.25 -177.39 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 75.21 111.165 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -60.05 -44.23 94.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 71.43 110.86 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.54 ' O ' HG13 ' A' ' 63' ' ' VAL . 39.2 t -58.4 -34.88 71.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.863 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -73.91 -32.45 63.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 65.12 110.896 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.735 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -74.74 -44.36 50.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 73.51 110.913 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -63.71 -41.76 98.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 73.5 110.904 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 59' ' ' SER . 26.8 m -68.42 -37.12 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 65.12 111.105 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -63.06 -40.58 98.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 53.51 110.897 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.44 -35.62 73.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 65.22 110.831 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -73.75 -45.02 54.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 51.05 110.848 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -61.15 -41.19 96.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.891 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -22.22 58.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 73.54 110.882 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -74.19 -41.27 61.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 61.11 110.896 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.73 HD22 ' CG2' ' A' ' 85' ' ' ILE . 3.0 pp -76.29 -35.88 58.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 70.24 110.934 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.604 ' N ' HD12 ' A' ' 70' ' ' LEU . 6.1 pt-20 -71.12 -26.61 63.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 72.34 110.883 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.8 ptm -89.3 -28.03 20.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 73.03 110.906 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.697 ' HG3' HD11 ' A' ' 122' ' ' LEU . 8.4 ptmm? -81.82 -12.62 58.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 75.4 110.882 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' HB2' ' HZ ' ' A' ' 124' ' ' PHE . . . -72.52 0.74 9.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 61.55 111.112 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 43.48 38.52 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 73.04 110.881 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -162.56 120.41 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.908 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 -76.97 91.03 3.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 73.45 110.847 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.543 HD21 ' CD1' ' A' ' 124' ' ' PHE . 1.1 mp -58.52 159.52 12.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.585 0.707 . . . . 72.14 110.913 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -49.48 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.694 2.262 . . . . 71.01 112.313 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.625 HG21 ' CG ' ' A' ' 126' ' ' TYR . 13.4 t -95.92 166.88 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 64.04 111.173 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.9 m -120.66 -17.28 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 75.11 111.17 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.54 HD23 ' CG ' ' A' ' 45' ' ' LYS . 9.0 mt -87.92 74.71 8.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 71.12 110.908 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.35 -174.22 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 75.42 110.901 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.783 ' HD2' HD23 ' A' ' 42' ' ' LEU . 3.7 p90 -156.47 163.43 39.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 42.35 110.865 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.73 ' CG2' HD22 ' A' ' 70' ' ' LEU . 47.3 pt -100.77 143.16 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 63.21 111.122 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.66 -26.52 56.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.91 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -6.75 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 60.45 111.133 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.8 -26.89 14.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 75.25 110.892 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.512 HG13 ' CE1' ' A' ' 84' ' ' PHE . 11.9 mm -101.45 -33.7 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 61.33 111.096 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.517 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.3 OUTLIER -48.02 -59.23 6.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.648 0.737 . . . . 75.12 110.921 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.4 Cg_endo -69.83 7.61 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.626 2.218 . . . . 55.54 112.36 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.85 -27.47 8.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 71.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 37' ' ' LYS . 45.6 mt -66.41 -116.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 62.4 110.935 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.492 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.7 tt0 -137.31 143.9 42.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 62.33 110.911 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -65.84 -39.15 90.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.878 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -89.51 21.14 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 64.32 110.882 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.677 HD13 ' OE2' ' A' ' 33' ' ' GLU . 11.2 tp -83.99 -19.32 34.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 71.12 110.909 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.406 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 56.7 mmt-85 61.28 161.36 0.11 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.627 0.727 . . . . 72.23 110.853 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.8 Cg_endo -69.8 69.51 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 61.22 112.324 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.3 p -98.54 -24.47 15.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 73.34 110.865 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.548 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -51.35 -52.52 44.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 75.45 110.898 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.4 -21.64 16.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 65.41 111.103 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -96.35 -21.11 17.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 52.43 110.905 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.92 -21.75 27.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 62.34 111.066 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.647 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.5 mm -46.88 -51.43 39.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.666 0.746 . . . . 74.23 111.165 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.7 Cg_endo -69.8 -22.95 31.16 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.659 2.239 . . . . 73.32 112.36 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.3 m -82.37 -26.41 32.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 64.02 110.902 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.506 HD23 ' N ' ' A' ' 108' ' ' LEU . 2.2 mt -78.98 -39.06 35.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.955 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.07 -29.23 49.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.868 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -56.37 -22.14 29.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.87 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -104.58 -6.66 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 75.4 111.093 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 67.78 56.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.01 110.862 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.06 -30.59 4.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 73.23 110.838 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.561 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.7 pp -144.36 175.41 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 62.12 111.16 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.561 ' N ' HD12 ' A' ' 114' ' ' ILE . 2.0 mtt180 -139.05 175.27 9.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 72.24 110.883 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -155.64 130.69 9.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 63.15 110.911 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.53 119.4 38.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 64.32 110.905 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -86.63 102.89 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 72.25 110.83 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.7 m -126.97 91.17 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 43.22 110.879 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.431 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 61.48 -150.26 44.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 35.41 112.449 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 38.79 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.698 2.266 . . . . 73.55 112.309 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.697 HD11 ' HG3' ' A' ' 73' ' ' LYS . 77.5 mt -146.33 166.1 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.55 110.893 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -153.29 114.32 4.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 73.23 111.16 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.543 ' CD1' HD21 ' A' ' 78' ' ' LEU . 12.8 m-85 -96.35 168.67 10.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 65.41 110.86 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -153.11 117.86 5.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.904 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.625 ' CG ' HG21 ' A' ' 80' ' ' THR . 0.3 OUTLIER -121.46 153.11 58.88 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.688 0.756 . . . . 75.43 110.897 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 88.73 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 71.01 112.346 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 45.61 34.42 5.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 62.51 112.507 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.4 152.08 22.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 64.14 110.847 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 36.4 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 64.14 110.829 -179.824 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ttt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.796 0.331 . . . . 65.02 110.873 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -69.21 172.54 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 71.04 110.847 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.29 101.56 8.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 74.01 110.859 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.549 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -118.43 154.94 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 64.43 111.151 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.53 149.13 43.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.862 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.758 HD11 ' HA ' ' A' ' 43' ' ' MET . 1.0 OUTLIER -100.9 -31.91 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 71.2 111.141 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 7' ' ' VAL . 15.8 m -149.25 100.52 3.38 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.621 0.724 . . . . 75.34 111.139 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.4 Cg_endo -69.79 162.53 41.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 73.34 112.358 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -61.07 173.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 41.33 110.884 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.87 HD11 ' HB3' ' A' ' 31' ' ' MET . 10.7 pt -122.73 122.43 65.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 71.25 111.134 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.05 -167.27 1.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 75.33 111.097 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.798 ' HA ' HD11 ' A' ' 28' ' ' LEU . 2.8 t70 -63.17 -20.67 65.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.904 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.71 -29.83 29.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 64.41 110.832 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.416 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 56.9 mm-40 -91.73 -35.35 14.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 71.34 110.86 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.421 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 9.0 t80 -71.24 -34.88 71.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 75.5 110.917 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -68.48 -10.96 58.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 73.32 110.902 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 p -77.17 -9.48 58.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 72.14 111.167 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.469 ' HB ' HD21 ' A' ' 23' ' ' LEU . 2.8 mp -106.03 129.47 24.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.748 . . . . 75.32 111.145 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 148.61 65.28 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.675 2.25 . . . . 73.1 112.356 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -56.82 -23.92 47.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 62.22 110.878 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -62.9 -22.86 67.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 73.34 110.92 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -99.73 -38.18 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 65.42 110.894 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.469 HD21 ' HB ' ' A' ' 18' ' ' ILE . 13.0 mt -70.51 -52.95 18.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 63.14 110.943 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.66 -89.21 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 74.44 112.476 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -117.42 23.49 11.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.808 0.337 . . . . 61.2 110.854 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.71 165.4 12.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 71.22 110.885 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -143.89 162.17 36.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 73.23 111.102 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.798 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -50.74 -40.91 55.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 63.44 110.947 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.03 -41.7 98.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.851 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.9 mtt -61.88 -44.37 96.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 62.31 110.897 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.87 ' HB3' HD11 ' A' ' 10' ' ' ILE . 76.8 mtp -75.96 -34.2 59.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 43.53 110.919 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -57.92 -40.44 80.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 73.02 110.862 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.757 ' OE1' HD22 ' A' ' 97' ' ' LEU . 12.9 pt-20 -80.84 -35.64 32.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 72.42 110.873 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.699 HG23 ' CE2' ' A' ' 101' ' ' PHE . 50.9 mt -64.66 -46.31 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 75.03 111.119 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.698 HG22 HD11 ' A' ' 108' ' ' LEU . 14.3 t -74.77 -28.64 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.22 111.15 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -72.43 -53.37 12.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 63.24 110.83 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -62.24 -49.77 74.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.89 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.546 ' HA ' HD12 ' A' ' 89' ' ' ILE . 14.9 tpt -54.52 -45.68 73.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 53.25 110.902 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.505 ' HB2' HG23 ' A' ' 7' ' ' VAL . 37.0 t0 -65.13 -29.33 70.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 75.5 110.812 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -64.6 -57.14 9.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 71.24 110.835 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CG ' ' CE2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -58.71 -47.81 83.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 65.11 110.877 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.748 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -62.56 -35.65 80.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 62.33 110.912 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.758 ' HA ' HD11 ' A' ' 6' ' ' ILE . 63.5 ttp -61.92 -37.3 84.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 72.41 110.91 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.475 ' O ' HD12 ' A' ' 48' ' ' ILE . 1.9 tptt -70.99 -48.19 54.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.947 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.457 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -51.45 -52.53 45.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 63.31 110.912 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 t -62.44 -35.38 79.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 74.14 110.857 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -27.3 62.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 72.24 110.845 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.572 HG23 ' OD2' ' A' ' 60' ' ' ASP . 6.6 mt -77.64 -31.11 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.427 . . . . 73.51 111.107 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.643 HD11 HD21 ' A' ' 82' ' ' LEU . 5.4 mt -62.21 -26.43 68.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 63.34 110.936 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -102.69 -32.13 4.91 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.77 -0.728 . . . . 65.3 112.46 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 171.62 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.346 . . . . 74.52 110.886 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.56 HG23 ' H ' ' A' ' 54' ' ' LYS . 15.3 t -118.05 172.13 7.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.32 111.158 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -56.92 -27.02 60.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 74.35 110.842 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.56 ' H ' HG23 ' A' ' 52' ' ' THR . 53.5 mtpt -63.15 -46.77 85.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 71.01 110.868 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.607 ' O ' HG23 ' A' ' 57' ' ' THR . 10.7 mm100 -82.42 -33.35 28.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 75.52 110.933 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.764 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -49.58 122.5 6.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 75.51 110.933 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 55' ' ' GLN . 28.7 p -120.86 -172.43 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 74.41 111.107 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -50.28 -53.75 26.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 71.14 110.879 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.549 ' O ' HG13 ' A' ' 63' ' ' VAL . 10.0 t -56.99 -30.06 63.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 73.2 110.827 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.572 ' OD2' HG23 ' A' ' 48' ' ' ILE . 16.0 t0 -73.7 -37.05 65.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.814 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.764 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -78.12 -36.79 47.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 71.31 110.86 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.62 -40.4 88.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.86 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 59' ' ' SER . 32.0 m -72.48 -43.13 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 73.12 111.084 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.465 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.5 OUTLIER -60.47 -44.95 95.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 70.43 110.934 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -38.55 90.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.814 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -71.19 -46.69 60.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 73.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -43.34 73.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 73.41 110.916 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -72.97 -23.25 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 74.52 110.859 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -73.78 -38.69 64.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 71.31 110.895 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.8 mt -76.47 -35.26 58.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.5 110.897 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -71.2 -27.0 63.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 70.14 110.869 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.7 ptm -89.41 -25.05 21.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 64.32 110.863 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.02 -10.88 51.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 74.54 110.875 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.66 -0.6 13.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 62.31 111.104 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 48.39 30.6 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 74.04 110.841 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.2 tptt 179.72 138.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.02 110.95 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.5 mmt-85 -79.16 96.25 5.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 73.4 110.902 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.469 HD11 ' SG ' ' A' ' 119' ' ' CYS . 4.4 mp -49.1 154.62 1.31 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.567 0.699 . . . . 73.13 110.955 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.64 24.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 74.03 112.348 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.687 HG21 ' CG ' ' A' ' 126' ' ' TYR . 0.7 OUTLIER -124.78 151.72 44.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.34 111.168 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.1 m -107.93 -22.45 12.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 73.04 111.144 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.643 HD21 HD11 ' A' ' 49' ' ' LEU . 28.3 mt -103.4 65.99 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.893 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.545 ' HD2' HG23 ' A' ' 80' ' ' THR . 8.2 p90 -121.86 155.63 34.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 52.32 110.861 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.445 ' CE2' ' CG ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -128.48 176.84 7.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 71.05 110.874 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.587 HD12 ' OG1' ' A' ' 87' ' ' THR . 30.9 pt -118.24 149.29 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 73.23 111.099 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.36 -28.62 69.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 73.24 110.938 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.587 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -67.96 -9.3 44.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 63.43 111.104 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.1 2.71 18.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 73.24 110.848 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 38' ' ' MET . 23.8 mm -124.41 -41.05 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 74.44 111.163 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.484 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -56.75 -60.4 9.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.645 0.736 . . . . 75.01 110.887 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.1 Cg_endo -69.75 19.72 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.729 2.286 . . . . 51.15 112.295 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.475 ' H ' ' C ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -120.73 -26.2 5.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 52.32 110.88 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' A' ' 34' ' ' ILE . 8.8 mt -72.62 -121.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.912 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.486 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 4.2 tt0 -122.48 145.71 48.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 71.31 110.919 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -68.06 -35.91 79.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.867 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -89.2 14.16 11.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 65.11 110.872 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.757 HD22 ' OE1' ' A' ' 33' ' ' GLU . 13.8 tp -77.18 -22.34 52.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.926 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 64.38 163.9 0.12 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 74.33 110.854 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 69.62 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.683 2.255 . . . . 64.44 112.343 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 81.5 p -98.06 -25.45 14.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 60.14 110.872 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.699 ' CE2' HG23 ' A' ' 34' ' ' ILE . 1.2 t80 -50.93 -51.56 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 73.22 110.871 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.0 -22.97 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 74.41 111.067 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -97.87 -19.97 17.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 75.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.82 -18.99 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 54.42 111.069 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.639 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 19.7 mm -46.98 -51.56 39.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.603 0.716 . . . . 72.25 111.151 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.82 -29.81 23.01 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.698 2.265 . . . . 62.13 112.279 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 8.3 m -74.9 -20.14 59.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 71.13 110.872 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.698 HD11 HG22 ' A' ' 35' ' ' VAL . 2.8 mm? -88.47 -41.44 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 72.35 110.927 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.447 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 13.0 ptm180 -77.04 -32.28 56.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 72.55 110.859 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -55.9 -22.74 27.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 62.25 110.878 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 24.8 pt -104.43 -9.1 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 63.23 111.131 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.52 56.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 75.3 110.86 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.8 -36.08 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 73.33 110.882 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.526 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.3 pp -148.21 -179.03 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 73.25 111.143 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.526 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.4 OUTLIER -143.8 176.28 9.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.896 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 124' ' ' PHE . 2.9 pm0 -144.84 133.65 22.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 72.51 110.927 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.79 105.3 13.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 75.53 110.884 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.9 tpp85 -73.24 103.05 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.905 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.469 ' SG ' HD11 ' A' ' 78' ' ' LEU . 15.7 m -117.77 82.24 1.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 41.22 110.873 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 69.08 -139.83 33.21 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 73.54 112.44 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 0.78 5.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 75.25 112.374 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.0 mt -116.0 172.79 6.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 53.13 110.95 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.9 m -152.53 121.9 6.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 65.13 111.168 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 84.1 m-85 -101.53 177.03 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 64.22 110.879 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -152.81 123.92 7.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 72.31 110.924 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.687 ' CG ' HG21 ' A' ' 80' ' ' THR . 3.8 p90 -120.96 159.88 47.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 64.12 110.935 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' ' 126' ' ' TYR . 53.6 Cg_endo -69.81 102.26 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 44.41 112.342 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 47.85 -132.81 17.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 71.24 112.482 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 78.2 p -145.78 128.83 16.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.388 . . . . 54.3 110.863 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 89.2 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 72.44 110.86 -179.826 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.039 0 CA-C-O 120.783 0.325 . . . . 71.33 110.863 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -105.56 169.99 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.899 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -120.75 98.64 6.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.21 110.84 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.504 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -115.94 161.55 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.34 111.094 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -79.86 173.94 12.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 65.11 110.893 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.506 HD11 ' HB3' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -120.06 -19.75 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 71.33 111.108 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.571 HG23 ' HB2' ' A' ' 39' ' ' ASP . 14.9 m -153.35 103.02 2.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 71.13 111.098 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.9 Cg_endo -69.74 147.89 64.01 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.717 2.278 . . . . 75.51 112.315 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -51.15 167.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.912 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.677 HD11 ' HB3' ' A' ' 31' ' ' MET . 13.1 pt -116.42 133.54 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 72.44 111.169 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.501 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -105.44 -172.85 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.14 111.095 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.678 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -57.29 -21.6 35.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 71.21 110.897 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -68.14 -29.69 68.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 71.45 110.912 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.685 ' O ' HG22 ' A' ' 17' ' ' THR . 11.9 mm-40 -104.42 -47.42 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 52.51 110.897 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -52.92 -33.16 49.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 74.12 110.854 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -21.48 52.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 72.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.685 HG22 ' O ' ' A' ' 14' ' ' GLU . 1.5 t -76.88 -6.58 53.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 71.41 111.175 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.608 HG21 ' HB3' ' A' ' 107' ' ' CYS . 2.3 mt -119.87 94.81 48.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.667 0.746 . . . . 55.31 111.178 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 165.27 31.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 73.43 112.348 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -52.03 -24.4 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 75.42 110.915 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -61.25 -22.16 64.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 65.15 110.874 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -115.37 -32.16 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 64.45 110.925 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.647 ' O ' HD12 ' A' ' 26' ' ' LEU . 54.5 mt -61.19 -57.84 10.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 64.51 110.943 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.52 76.98 0.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 75.23 112.49 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 68.15 12.08 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 61.23 110.859 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.647 HD12 ' O ' ' A' ' 23' ' ' LEU . 2.3 mt -91.64 172.24 8.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 55.44 110.904 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -156.59 163.45 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 51.25 111.121 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.678 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -54.38 -41.51 69.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.925 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -38.31 84.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.883 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.435 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -62.24 -47.23 85.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 61.54 110.862 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.76 ' O ' HG23 ' A' ' 35' ' ' VAL . 13.2 mtm -75.62 -34.49 60.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 74.12 110.909 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -56.44 -42.69 78.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 64.54 110.924 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.614 ' OE1' HD22 ' A' ' 97' ' ' LEU . 8.3 pt-20 -80.32 -35.09 36.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 71.31 110.913 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.56 HG23 ' CE2' ' A' ' 101' ' ' PHE . 33.3 mt -64.54 -46.39 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 64.51 111.126 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.79 HG22 HD11 ' A' ' 108' ' ' LEU . 6.7 t -75.23 -28.46 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 64.32 111.135 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -73.06 -47.89 40.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 51.12 110.896 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.423 ' HB2' HD23 ' A' ' 93' ' ' LEU . 7.9 mptt -66.4 -55.39 16.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 74.15 110.895 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.453 ' SD ' HG21 ' A' ' 7' ' ' VAL . 4.4 ppp? -53.3 -38.62 63.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 63.24 110.861 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.571 ' HB2' HG23 ' A' ' 7' ' ' VAL . 38.4 t0 -69.12 -29.13 67.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.21 110.891 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.42 -51.94 45.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 63.35 110.828 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -63.22 -41.14 99.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 71.01 110.893 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.77 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -71.89 -31.55 66.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 64.13 110.911 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.401 ' N ' HD11 ' A' ' 6' ' ' ILE . 37.0 ttp -65.67 -40.8 92.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 70.35 110.905 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.63 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -73.42 -36.95 66.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 64.4 110.871 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 3.3 mtmt -59.51 -52.68 64.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.894 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.408 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 5.9 t -65.0 -32.99 74.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.843 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -30.16 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.2 110.942 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.672 HD13 HG21 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -83.52 -32.21 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 74.32 111.186 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 5.5 mt -63.65 -16.94 62.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.883 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -108.87 -35.93 2.29 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.777 -0.725 . . . . 65.44 112.479 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.52 174.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 62.14 110.885 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 p -120.87 177.45 5.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 63.52 111.111 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -59.39 -20.83 57.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 61.53 110.87 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -72.14 -31.75 66.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 62.32 110.931 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.706 ' O ' HG23 ' A' ' 57' ' ' THR . 23.5 mp0 -99.78 -25.54 14.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.895 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 56' ' ' LEU . 3.0 tt -51.1 118.96 3.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 74.03 110.975 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 55' ' ' GLN . 41.8 p -124.74 -171.78 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 63.14 111.131 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -50.49 -42.98 55.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.908 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.589 ' O ' HG13 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -65.65 -28.64 69.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 45.32 110.87 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.494 ' OD2' HG23 ' A' ' 48' ' ' ILE . 4.8 t0 -74.48 -34.94 63.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 73.31 110.812 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.444 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -77.75 -35.95 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 71.34 110.875 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -36.92 76.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.0 110.843 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.672 HG21 HD13 ' A' ' 48' ' ' ILE . 32.7 m -75.03 -41.77 45.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 63.52 111.13 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.648 HD13 HG21 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -61.85 -45.58 93.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 62.15 110.963 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.95 -41.81 90.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.884 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -66.68 -46.72 74.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 64.21 110.899 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.68 ' HA ' HD12 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -55.34 -48.45 74.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.943 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -23.88 67.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 62.41 110.923 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -32.55 65.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 73.54 110.923 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.729 HD22 HG23 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -78.03 -40.18 39.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 74.24 110.906 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.81 -28.43 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 70.31 110.866 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.1 ptp -87.14 -22.38 25.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 70.44 110.889 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -83.5 -16.49 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.885 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.782 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -75.75 0.62 17.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 63.52 111.069 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 48.76 34.64 5.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 71.11 110.834 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.81 177.13 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 55.24 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -110.67 95.04 5.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 75.35 110.905 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 124' ' ' PHE . 7.7 mp -51.12 161.54 0.71 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.656 0.741 . . . . 64.34 110.89 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -37.79 8.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 71.12 112.345 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.18 172.04 8.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 60.14 111.182 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.4 m -120.66 -20.38 7.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 74.03 111.099 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.548 ' HB3' HD11 ' A' ' 42' ' ' LEU . 11.9 mt -106.44 75.25 1.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 72.12 110.904 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -133.25 162.99 30.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.865 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.77 ' HD2' HD23 ' A' ' 42' ' ' LEU . 4.8 p90 -139.41 175.2 9.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 71.51 110.913 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.729 HG23 HD22 ' A' ' 70' ' ' LEU . 40.8 pt -106.51 146.45 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 73.14 111.144 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -26.57 57.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 44.41 110.895 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.438 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -75.32 -7.12 53.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 74.32 111.133 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -97.24 -21.35 17.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 71.51 110.85 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.478 HG13 ' CE1' ' A' ' 84' ' ' PHE . 12.0 mm -109.14 -32.08 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 73.43 111.091 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.533 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 2.2 ttp85 -49.54 -58.31 9.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.54 0.686 . . . . 60.15 110.846 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.3 Cg_endo -69.72 4.82 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.692 2.261 . . . . 71.31 112.345 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -32.46 8.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.42 110.881 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.461 HD21 ' HA ' ' A' ' 34' ' ' ILE . 83.1 mt -64.45 -113.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 53.1 110.882 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.508 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.7 tt0 -141.63 145.86 35.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.914 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -69.31 -39.48 78.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 71.21 110.866 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.8 13.47 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 74.52 110.891 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.614 HD22 ' OE1' ' A' ' 33' ' ' GLU . 12.2 tp -77.94 -23.31 48.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.925 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 64.41 164.09 0.12 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.699 . . . . 73.04 110.866 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 70.96 1.57 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.639 2.226 . . . . 74.41 112.359 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.416 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -98.57 -25.49 14.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 63.45 110.847 -179.844 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.56 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -51.38 -50.85 58.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.1 110.843 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.34 -22.03 11.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 62.53 111.06 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -99.43 -19.86 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 75.54 110.923 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.63 -17.77 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.32 111.112 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.642 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 17.2 mm -46.29 -52.12 30.32 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 61.14 111.106 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.3 Cg_endo -69.73 -32.7 18.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.632 2.221 . . . . 73.25 112.383 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.608 ' HB3' HG21 ' A' ' 18' ' ' ILE . 9.0 m -74.0 -17.59 60.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 54.13 110.875 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.79 HD11 HG22 ' A' ' 35' ' ' VAL . 3.3 mm? -92.51 -39.29 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 75.13 110.911 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.43 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 9.4 ptm180 -79.35 -31.22 42.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.913 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -56.72 -21.01 24.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 75.13 110.821 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.556 HG22 HG21 ' A' ' 17' ' ' THR . 15.2 pt -106.46 -7.7 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 75.23 111.123 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 71.57 56.98 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 74.3 110.862 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -116.26 -33.06 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 75.23 110.887 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.6 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.5 pp -149.48 -178.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.124 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.6 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.4 OUTLIER -146.08 174.29 11.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.846 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.29 131.29 23.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 63.14 110.871 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.43 104.61 12.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 53.12 110.906 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.74 101.55 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 70.13 110.852 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.556 ' SG ' HD11 ' A' ' 78' ' ' LEU . 17.5 m -117.35 82.17 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 62.44 110.903 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.418 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 69.67 -139.68 32.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 71.23 112.469 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.418 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 54.3 Cg_endo -69.73 0.72 5.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.248 . . . . 50.02 112.332 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.6 mt -114.01 175.81 5.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 72.01 110.913 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.4 m -157.54 115.78 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 65.34 111.168 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.782 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 64.4 m-85 -97.49 174.13 6.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 65.3 110.837 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -150.7 123.09 8.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 75.33 110.898 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.421 ' HB2' ' HD2' ' A' ' 127' ' ' PRO . 5.3 p90 -121.44 158.32 53.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.641 0.734 . . . . 73.23 110.979 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 126' ' ' TYR . 54.0 Cg_endo -69.76 105.93 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.657 2.238 . . . . 74.14 112.331 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 50.46 -137.76 24.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 74.32 112.523 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.1 t -146.51 96.49 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 73.03 110.876 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 11.6 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 71.34 110.883 -179.812 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.769 0.319 . . . . 71.3 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -122.24 139.03 54.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 74.44 110.9 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -120.87 116.99 26.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 72.32 110.845 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -118.2 158.35 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.41 111.158 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -64.3 174.15 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 75.04 110.826 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.712 HD13 ' HB3' ' A' ' 42' ' ' LEU . 2.4 mp -121.61 -30.83 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.35 111.126 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.572 HG23 ' HB2' ' A' ' 39' ' ' ASP . 3.6 m -154.26 101.14 2.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.722 . . . . 72.1 111.122 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.8 Cg_endo -69.78 177.97 5.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.638 2.226 . . . . 72.31 112.344 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -75.77 158.56 32.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 63.21 110.919 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.869 HD11 ' HB3' ' A' ' 31' ' ' MET . 13.3 pt -112.61 125.5 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 71.55 111.119 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.48 -169.07 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 72.02 111.15 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.855 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -64.19 -19.94 65.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 75.52 110.897 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -78.99 -29.4 43.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 74.53 110.862 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -96.21 -33.83 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 63.54 110.853 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.508 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 25.3 t80 -71.5 -32.62 68.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 72.21 110.875 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -69.73 -9.14 53.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 72.43 110.926 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 p -76.7 -7.3 55.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 51.2 111.114 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.434 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.5 mp -108.46 130.52 22.66 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.629 0.728 . . . . 74.41 111.16 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 149.21 66.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.252 . . . . 74.01 112.31 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.39 -21.67 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 70.34 110.895 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -65.62 -23.4 66.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 71.44 110.92 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -97.96 -40.7 8.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 75.21 110.92 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.508 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 19.2 mt -64.86 -54.8 25.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 61.14 110.93 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.24 -88.61 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 61.11 112.522 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -116.78 19.36 14.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 73.43 110.846 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.42 160.1 14.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 64.4 110.934 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.22 165.71 26.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.12 111.125 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.855 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -51.16 -41.99 60.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 64.4 110.941 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -39.7 91.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 62.52 110.885 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.2 mtt -62.62 -44.03 97.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.873 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.869 ' HB3' HD11 ' A' ' 10' ' ' ILE . 4.6 mtt -75.4 -37.27 60.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 62.43 110.862 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -56.12 -41.85 75.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 65.43 110.902 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.636 ' OE1' HD22 ' A' ' 97' ' ' LEU . 9.6 pt-20 -79.4 -31.2 42.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.894 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.492 ' HA ' HD21 ' A' ' 93' ' ' LEU . 33.1 mt -68.15 -46.83 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 64.31 111.097 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 31' ' ' MET . 3.8 t -74.35 -28.49 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 73.05 111.14 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -72.44 -53.65 11.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 73.35 110.879 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -61.52 -51.94 66.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 74.35 110.903 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 8.4 ptm -53.71 -41.29 66.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 55.14 110.897 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.572 ' HB2' HG23 ' A' ' 7' ' ' VAL . 38.7 t0 -68.43 -28.88 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 51.33 110.882 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -66.59 -45.4 79.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 65.54 110.849 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.631 ' HD2' HD11 ' A' ' 89' ' ' ILE . 2.7 t80 -67.79 -43.63 79.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.873 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.712 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -71.77 -26.39 62.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.893 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.594 ' HA ' HD11 ' A' ' 6' ' ' ILE . 3.6 tpt -71.46 -42.05 68.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.857 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.428 ' O ' HD12 ' A' ' 48' ' ' ILE . 7.7 ptpp? -72.1 -37.74 69.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 65.53 110.91 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HD3' HD23 ' A' ' 82' ' ' LEU . 1.4 tttt -63.22 -53.51 51.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 62.43 110.899 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 t -61.47 -28.11 69.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 64.3 110.873 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -30.13 66.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 51.22 110.908 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.428 HD12 ' O ' ' A' ' 44' ' ' LYS . 6.5 mt -78.98 -33.07 15.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 62.04 111.119 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 49' ' ' LEU . 6.1 mt -63.34 -16.98 62.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 74.45 110.89 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.67 -28.35 4.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 71.12 112.485 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -174.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 75.22 110.891 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -121.36 -171.93 2.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 65.35 111.138 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.82 -5.77 47.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 53.43 110.873 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -88.69 -39.56 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 72.3 110.908 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -84.28 -27.61 27.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 73.33 110.88 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -50.25 129.1 20.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 64.45 110.937 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.0 p -113.35 -174.0 2.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 53.22 111.161 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.5 ptt85 -59.49 -46.31 89.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.911 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.588 ' O ' HG13 ' A' ' 63' ' ' VAL . 43.1 t -62.97 -27.31 69.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 61.24 110.834 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -73.91 -31.92 63.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 53.53 110.869 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -43.95 43.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 75.04 110.847 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -64.14 -38.28 90.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 64.04 110.898 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 59' ' ' SER . 34.1 m -72.51 -38.62 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 54.22 111.126 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -44.14 97.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.45 110.919 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -32.19 70.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.88 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -75.68 -39.51 57.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 74.42 110.917 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -39.86 93.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 73.54 110.951 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -24.87 55.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.85 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -43.03 66.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 70.24 110.917 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.904 HD22 HG23 ' A' ' 85' ' ' ILE . 1.5 pp -75.57 -33.9 60.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 52.01 110.913 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.01 -33.64 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.919 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.02 -17.52 31.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.848 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.409 ' HB3' HD11 ' A' ' 122' ' ' LEU . 0.9 OUTLIER -84.71 -16.19 42.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 71.42 110.903 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.707 ' HB2' ' HZ ' ' A' ' 124' ' ' PHE . . . -72.4 -0.36 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 62.22 111.135 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 48.32 36.44 6.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 73.3 110.856 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.52 170.51 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.911 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -108.87 92.47 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 63.04 110.858 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.516 HD21 ' CD1' ' A' ' 124' ' ' PHE . 5.6 mp -50.64 162.59 0.54 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.709 . . . . 75.42 110.936 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -42.98 2.87 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 62.44 112.306 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.776 HG21 ' CG ' ' A' ' 126' ' ' TYR . 5.0 t -96.48 164.65 12.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 75.03 111.137 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 81' ' ' THR . 19.0 m -121.39 -8.33 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 55.42 111.101 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.434 HD23 ' HD3' ' A' ' 45' ' ' LYS . 7.7 mt -107.59 76.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 73.04 110.916 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.543 ' HD2' HG23 ' A' ' 80' ' ' THR . 0.2 OUTLIER -135.34 -175.69 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 64.04 110.901 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.676 ' HD2' HD23 ' A' ' 42' ' ' LEU . 3.8 p90 -155.58 165.74 35.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 60.13 110.858 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.904 HG23 HD22 ' A' ' 70' ' ' LEU . 10.1 pt -98.44 151.11 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 73.21 111.101 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.77 -24.24 59.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 64.41 110.912 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.692 ' CG2' HD12 ' A' ' 85' ' ' ILE . 11.0 t -75.07 -8.57 56.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 70.33 111.14 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -105.18 -16.84 14.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 71.3 110.845 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.631 HD11 ' HD2' ' A' ' 41' ' ' PHE . 19.0 mm -106.28 -33.64 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 70.23 111.159 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.506 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 9.4 ttp180 -54.08 -59.02 11.01 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.737 . . . . 71.32 110.917 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.79 4.98 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 71.13 112.326 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -105.41 -24.31 12.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 65.14 110.883 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.492 HD21 ' HA ' ' A' ' 34' ' ' ILE . 83.3 mt -70.12 -108.65 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 60.33 110.918 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.427 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 1.6 mt-30 -135.22 136.18 41.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 61.54 110.884 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.68 -21.11 66.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 65.11 110.855 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -101.3 -4.36 27.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.02 110.907 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.636 HD22 ' OE1' ' A' ' 33' ' ' GLU . 18.5 tp -65.63 -23.39 66.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 63.5 110.918 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 64.08 163.62 0.12 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.557 0.694 . . . . 72.41 110.897 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 70.19 1.61 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.699 2.266 . . . . 65.22 112.338 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.9 p -98.4 -17.42 18.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 64.42 110.847 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.91 -51.16 54.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 72.45 110.908 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.12 -22.61 11.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 70.25 111.098 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.13 -22.05 17.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 71.23 110.902 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.31 -19.71 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 70.14 111.101 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.636 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 13.9 mm -46.84 -51.75 36.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 45.23 111.106 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.77 -25.91 28.06 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 63.02 112.319 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.8 m -80.7 -19.68 44.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 75.2 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.641 HD11 HG22 ' A' ' 35' ' ' VAL . 3.3 mm? -92.14 -32.97 14.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 72.33 110.892 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.462 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 12.0 ptm180 -85.73 -27.78 25.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 74.14 110.877 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -56.03 -21.22 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 75.02 110.849 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.578 HD12 ' CD ' ' A' ' 113' ' ' ARG . 14.1 pt -99.78 -13.08 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 71.34 111.13 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.28 56.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 64.14 110.9 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.578 ' CD ' HD12 ' A' ' 111' ' ' ILE . 21.6 mtp85 -120.98 -33.14 3.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 72.34 110.865 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.584 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.6 pp -140.6 177.94 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.53 111.134 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.584 ' N ' HD12 ' A' ' 114' ' ' ILE . 29.0 mtp180 -144.55 175.62 10.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 60.33 110.84 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.593 ' OE1' HG23 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -148.09 129.41 14.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 64.02 110.895 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -113.13 107.08 15.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 51.21 110.883 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -80.5 102.34 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.34 110.917 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 4.8 m -125.25 94.56 4.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.898 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 59.62 -149.26 40.5 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.758 -0.734 . . . . 71.32 112.505 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 39.97 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.247 . . . . 63.14 112.362 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.421 ' H ' ' C ' ' A' ' 120' ' ' GLY . 43.8 mt -148.73 168.05 23.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 55.12 110.896 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.14 111.38 3.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 74.24 111.176 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.707 ' HZ ' ' HB2' ' A' ' 74' ' ' ALA . 23.2 m-85 -95.18 166.2 12.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 71.31 110.881 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -150.93 117.7 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 73.34 110.89 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.776 ' CG ' HG21 ' A' ' 80' ' ' THR . 1.4 p90 -123.27 157.04 62.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.66 0.743 . . . . 73.33 110.912 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.431 ' HB3' HG22 ' A' ' 6' ' ' ILE . 53.1 Cg_endo -69.77 88.93 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.639 2.226 . . . . 74.35 112.328 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 53.76 -176.86 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 74.11 112.487 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.94 106.8 18.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.906 0.384 . . . . 72.4 110.861 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 53.6 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 71.11 110.838 -179.808 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 tpt . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.77 0.319 . . . . 60.42 110.855 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -115.51 167.41 10.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 61.3 110.933 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -92.51 107.26 19.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.879 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.503 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -116.95 161.53 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.116 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -88.59 167.36 13.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 63.52 110.818 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.689 HD13 ' HB3' ' A' ' 42' ' ' LEU . 2.5 mp -105.38 -30.33 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 74.51 111.1 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 7' ' ' VAL . 21.7 m -149.39 116.64 3.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.731 . . . . 73.24 111.153 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -167.58 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.665 2.243 . . . . 71.01 112.349 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -92.98 162.9 13.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 72.42 110.916 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.815 HD11 ' HB3' ' A' ' 31' ' ' MET . 18.1 pt -112.39 133.12 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.104 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.494 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -105.41 -170.96 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 74.13 111.123 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.663 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.2 t70 -58.24 -21.69 49.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 75.25 110.893 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.96 -28.9 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 75.33 110.887 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.567 ' O ' HG22 ' A' ' 17' ' ' THR . 3.6 mm-40 -101.64 -45.78 5.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 72.53 110.868 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -55.28 -35.16 64.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 73.53 110.866 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -15.18 62.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.911 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -77.39 -7.73 56.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 61.44 111.174 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.34 124.52 35.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.707 . . . . 71.43 111.086 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 149.39 66.97 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.634 2.223 . . . . 73.32 112.343 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -54.98 -26.35 36.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 75.03 110.885 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -62.79 -20.04 64.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.903 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -105.32 -35.24 7.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 65.43 110.914 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 26' ' ' LEU . 79.5 mt -60.58 -59.6 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.914 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.82 72.05 0.72 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 33.15 112.504 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 mmt-85 67.31 11.43 8.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 73.04 110.891 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' ' 23' ' ' LEU . 4.2 mt -78.67 166.58 22.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.946 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.8 158.99 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.03 111.128 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.663 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -52.78 -41.4 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.906 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.42 -38.15 83.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 70.11 110.919 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.436 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -63.43 -48.67 76.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 73.05 110.897 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.815 ' HB3' HD11 ' A' ' 10' ' ' ILE . 79.9 mtp -74.47 -32.67 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 73.51 110.92 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 36' ' ' SER . 3.3 t30 -58.6 -45.64 88.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.895 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.557 ' OE1' HD22 ' A' ' 97' ' ' LEU . 8.5 pt-20 -78.22 -27.96 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 64.05 110.879 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.568 ' O ' ' HE3' ' A' ' 38' ' ' MET . 30.0 mt -71.65 -44.06 70.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 61.14 111.16 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.907 HG22 HD11 ' A' ' 108' ' ' LEU . 15.9 t -74.1 -35.26 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 63.32 111.156 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 32' ' ' ASN . 3.1 p -71.23 -36.66 71.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.884 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.89 -49.78 19.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.879 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.568 ' HE3' ' O ' ' A' ' 34' ' ' ILE . 12.7 ptp -55.2 -42.87 73.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 72.43 110.871 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.423 ' HB3' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -70.43 -30.64 67.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 62.35 110.887 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -64.02 -49.33 72.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 72.02 110.881 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.546 ' HD2' HD11 ' A' ' 89' ' ' ILE . 9.2 t80 -66.05 -42.94 88.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.892 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.697 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -70.19 -27.7 64.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 61.44 110.91 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.671 ' HA ' HD11 ' A' ' 6' ' ' ILE . 43.4 ttp -70.39 -42.96 71.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.89 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.598 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -70.78 -35.79 72.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 72.04 110.899 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HG2' ' CE2' ' A' ' 67' ' ' TRP . 1.4 tppp? -64.38 -52.61 57.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 73.32 110.915 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 t -62.56 -26.2 68.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 74.42 110.882 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.38 -29.89 62.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.892 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 44' ' ' LYS . 5.4 mt -80.03 -32.06 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 43.4 111.177 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.429 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.8 mt -61.48 -21.1 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 73.44 110.939 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -108.95 -28.64 4.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 54.45 112.495 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -61.99 -174.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 54.44 110.9 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.545 HG21 ' HE3' ' A' ' 54' ' ' LYS . 13.0 t -123.59 168.0 13.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.136 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -56.54 -26.29 54.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 64.13 110.842 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.545 ' HE3' HG21 ' A' ' 52' ' ' THR . 32.1 mtmt -71.45 -38.11 71.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 54.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -84.57 -30.42 25.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.944 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.79 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -50.94 129.4 23.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.42 110.956 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.7 p -112.2 -173.76 2.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 61.14 111.138 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -58.49 -55.98 27.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 74.13 110.87 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.597 ' O ' HG13 ' A' ' 63' ' ' VAL . 20.4 m -53.87 -28.94 39.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 74.4 110.887 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -73.94 -31.34 62.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 74.3 110.858 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.79 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -75.92 -42.56 48.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 51.32 110.854 -179.865 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.89 -38.59 89.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 71.31 110.878 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 59' ' ' SER . 35.0 m -71.46 -40.41 72.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 74.02 111.164 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.425 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -60.64 -44.79 95.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 61.22 110.884 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -38.46 89.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 74.2 110.896 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -73.16 -35.65 66.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.871 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.416 ' CE2' ' HG2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -62.57 -47.29 84.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 71.52 110.951 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -23.87 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 51.43 110.856 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -70.14 -45.23 67.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 72.01 110.89 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.956 HD22 HG23 ' A' ' 85' ' ' ILE . 2.4 pp -74.68 -29.97 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 64.32 110.885 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.506 ' N ' HD12 ' A' ' 70' ' ' LEU . 31.8 tt0 -68.58 -35.85 77.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.867 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.6 ptm -87.99 -15.1 37.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.874 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.54 -14.89 36.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 71.21 110.883 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.649 ' HB2' ' HZ ' ' A' ' 124' ' ' PHE . . . -72.25 -2.16 17.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 74.33 111.09 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 47.25 38.65 7.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 54.34 110.915 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.5 tttp 179.55 172.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 63.15 110.906 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.08 90.41 3.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 70.22 110.901 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.58 HD21 ' CD1' ' A' ' 124' ' ' PHE . 6.2 mp -51.57 160.99 0.9 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.619 0.723 . . . . 72.42 110.918 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -47.14 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.668 2.246 . . . . 65.25 112.361 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.452 HG21 ' CB ' ' A' ' 126' ' ' TYR . 1.5 m -88.14 157.82 18.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 71.3 111.167 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.4 m -115.38 -24.08 8.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 54.41 111.13 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.446 ' HB3' HD11 ' A' ' 42' ' ' LEU . 9.2 mt -95.63 76.18 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 72.02 110.924 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.47 -173.76 3.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.854 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.697 ' HD2' HD23 ' A' ' 42' ' ' LEU . 4.4 p90 -158.12 166.49 32.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 73.13 110.877 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.956 HG23 HD22 ' A' ' 70' ' ' LEU . 35.7 pt -101.62 142.38 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.44 111.169 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.31 -25.44 59.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 73.41 110.935 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -6.58 48.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 64.42 111.109 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -102.51 -16.83 16.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.875 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.546 HD11 ' HD2' ' A' ' 41' ' ' PHE . 13.1 mm -109.69 -38.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 71.12 111.131 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.525 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 3.5 ttp180 -49.07 -58.78 7.75 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.56 0.695 . . . . 74.02 110.843 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.8 4.27 2.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.624 2.216 . . . . 42.11 112.316 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.12 -31.87 8.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 73.5 110.882 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.443 HD13 HD23 ' A' ' 97' ' ' LEU . 81.0 mt -62.93 -111.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 63.42 110.926 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.435 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 1.4 mt-30 -138.73 131.55 29.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 75.35 110.921 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -60.28 -21.61 62.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 71.1 110.886 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -101.75 -2.69 29.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 70.53 110.841 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.557 HD22 ' OE1' ' A' ' 33' ' ' GLU . 18.0 tp -65.11 -19.48 66.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 43.14 110.904 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.472 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 8.8 mmt180 65.69 157.94 0.13 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.619 0.723 . . . . 72.11 110.836 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 54.1 Cg_endo -69.72 69.73 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.685 2.256 . . . . 54.41 112.36 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 m -97.94 -15.07 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 75.32 110.813 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.563 ' CZ ' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -51.04 -51.17 55.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 72.22 110.889 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.68 -21.73 19.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 74.11 111.108 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.89 -18.88 19.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 71.2 110.87 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.65 -17.64 24.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 50.43 111.093 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.622 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.6 mm -45.53 -52.9 21.14 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 64.52 111.138 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.8 Cg_endo -69.76 -30.7 21.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.693 2.262 . . . . 65.44 112.334 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.465 ' HB2' ' HE3' ' A' ' 31' ' ' MET . 7.7 m -73.91 -16.87 61.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 63.1 110.864 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.907 HD11 HG22 ' A' ' 35' ' ' VAL . 3.4 mm? -92.65 -36.34 13.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 75.11 110.957 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.418 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 7.5 ptm180 -86.24 -23.82 26.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 54.23 110.869 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -56.08 -24.03 37.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.04 110.894 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.464 HG22 HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -103.83 -2.72 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.44 111.112 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 68.4 56.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.35 110.861 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -115.83 -31.07 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 73.13 110.915 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.531 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.7 pp -148.49 -179.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 62.11 111.129 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.531 ' N ' HD12 ' A' ' 114' ' ' ILE . 36.2 mtp180 -141.86 174.67 10.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 75.15 110.914 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.95 126.7 13.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 64.31 110.846 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -113.05 104.7 12.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 73.22 110.92 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.32 103.56 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 72.1 110.892 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 10.0 m -119.81 81.63 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 63.21 110.832 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.41 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 69.23 -140.83 34.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 64.02 112.494 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.41 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 53.6 Cg_endo -69.75 2.47 3.49 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 71.13 112.375 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -116.66 176.44 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.903 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.5 m -161.59 120.32 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 52.14 111.123 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.649 ' HZ ' ' HB2' ' A' ' 74' ' ' ALA . 14.5 m-85 -96.67 167.85 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 63.22 110.903 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -151.48 117.17 5.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 64.34 110.901 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.452 ' CB ' HG21 ' A' ' 80' ' ' THR . 0.3 OUTLIER -121.16 145.68 42.57 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.721 0.772 . . . . 74.51 110.888 -179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.682 ' HG3' HG21 ' A' ' 6' ' ' ILE . 53.4 Cg_endo -69.78 89.95 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.269 . . . . 71.14 112.318 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 47.09 85.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 73.43 112.47 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 74.0 m -149.91 113.59 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 62.3 110.878 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 74.33 110.887 -179.808 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mmt . . . . . 0 N--CA 1.458 -0.037 0 CA-C-O 120.819 0.342 . . . . 71.41 110.913 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.5 131.21 56.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 41.12 110.879 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -140.64 102.19 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 73.43 110.85 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.544 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -118.99 154.8 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.24 111.082 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.58 145.42 28.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 71.12 110.87 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.692 HD13 ' HB3' ' A' ' 42' ' ' LEU . 2.8 mp -94.43 -34.7 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 72.52 111.16 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 7' ' ' VAL . 10.7 m -152.47 100.55 2.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.613 0.72 . . . . 74.44 111.15 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.9 Cg_endo -69.75 169.51 18.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.23 . . . . 71.42 112.334 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -63.33 165.9 7.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 62.31 110.959 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.831 HD11 ' HB3' ' A' ' 31' ' ' MET . 13.1 pt -119.06 121.99 68.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 75.5 111.149 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.75 -171.36 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 73.1 111.117 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.796 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -60.84 -19.64 60.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.884 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -77.86 -28.81 50.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.03 110.871 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.614 ' O ' HG22 ' A' ' 17' ' ' THR . 26.8 mm-40 -98.24 -46.82 5.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 74.51 110.885 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.611 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 21.8 t80 -56.84 -28.89 62.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 71.23 110.878 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -71.59 -8.69 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.935 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 14' ' ' GLU . 1.8 t -76.79 -10.55 59.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 61.33 111.115 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.412 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.2 mp -105.51 130.27 23.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.613 0.721 . . . . 75.12 111.081 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.39 62.81 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.67 2.247 . . . . 64.54 112.373 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -56.33 -24.16 41.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.911 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -63.0 -23.66 67.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 72.22 110.912 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -97.72 -41.0 8.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 74.05 110.927 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.611 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 19.8 mt -64.33 -55.23 22.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 54.53 110.962 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.99 -93.08 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.75 . . . . 33.53 112.459 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -109.61 24.65 12.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 63.21 110.869 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.33 170.96 8.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.897 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -153.31 161.34 42.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.55 111.189 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.796 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -51.14 -42.45 60.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 61.33 110.926 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -41.22 92.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 75.45 110.936 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.8 mtt -62.78 -44.62 95.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 71.32 110.908 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.831 ' HB3' HD11 ' A' ' 10' ' ' ILE . 4.3 mtm -74.89 -33.12 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 71.2 110.901 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -59.46 -41.94 90.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 71.01 110.894 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.747 ' OE2' HD13 ' A' ' 97' ' ' LEU . 10.9 pt-20 -80.28 -29.7 38.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.913 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.532 HG23 ' CZ ' ' A' ' 101' ' ' PHE . 46.9 mt -71.43 -45.79 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 75.35 111.112 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 31' ' ' MET . 20.9 t -74.77 -29.33 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 61.01 111.157 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -73.31 -39.38 65.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.32 110.864 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.562 ' HG3' HD23 ' A' ' 93' ' ' LEU . 0.9 OUTLIER -72.47 -48.62 39.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 65.42 110.916 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.519 ' HE3' ' O ' ' A' ' 34' ' ' ILE . 12.5 ptp -56.66 -42.15 78.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 70.23 110.867 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 38' ' ' MET . 0.0 OUTLIER -68.92 -31.35 70.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.889 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -61.87 -56.38 19.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -47.59 85.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 71.15 110.886 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.771 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -63.93 -29.65 70.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 74.32 110.901 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.638 ' HA ' HD11 ' A' ' 6' ' ' ILE . 12.3 tpt -67.84 -37.94 82.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 63.52 110.859 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.507 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -71.33 -36.51 71.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.892 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 56.8 tttp -64.66 -52.36 57.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 75.54 110.855 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.8 p -62.24 -27.52 69.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.843 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -28.84 62.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 74.22 110.919 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 44' ' ' LYS . 6.9 mt -80.43 -31.74 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 74.44 111.129 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.569 HD11 HD21 ' A' ' 82' ' ' LEU . 5.6 mt -62.86 -22.43 66.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 61.03 110.927 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -104.25 -36.72 3.05 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 73.14 112.455 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 169.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.918 0.39 . . . . 73.54 110.84 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.21 160.53 15.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 50.43 111.148 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -55.9 -25.21 41.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 72.51 110.855 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -75.79 -37.31 59.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 72.11 110.849 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -82.43 -30.18 30.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 62.31 110.957 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.773 HD21 ' HD2' ' A' ' 61' ' ' ARG . 0.7 OUTLIER -51.42 134.29 28.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 72.14 110.924 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.7 t -114.37 175.04 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 62.43 111.158 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -53.32 -49.37 67.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.924 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.588 ' O ' HG13 ' A' ' 63' ' ' VAL . 64.7 m -52.7 -33.51 48.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.898 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -73.74 -31.93 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 74.45 110.925 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.773 ' HD2' HD21 ' A' ' 56' ' ' LEU . 1.2 ttt180 -75.84 -41.55 52.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 53.42 110.898 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.43 -36.93 84.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.861 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 59' ' ' SER . 35.1 m -73.66 -38.48 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 62.21 111.139 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.513 HD12 ' CE3' ' A' ' 67' ' ' TRP . 0.6 OUTLIER -62.0 -47.56 84.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 70.43 110.898 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -33.45 75.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 55.55 110.866 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -74.11 -40.32 62.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.857 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.513 ' CE3' HD12 ' A' ' 64' ' ' LEU . 18.9 m0 -62.06 -48.11 81.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 64.22 110.917 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.83 -23.91 59.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 70.35 110.854 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -69.51 -43.09 73.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.34 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.753 HD22 ' CG2' ' A' ' 85' ' ' ILE . 3.3 pp -76.36 -34.07 58.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 71.51 110.908 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.637 ' N ' HD12 ' A' ' 70' ' ' LEU . 6.7 pt-20 -74.28 -27.18 60.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 65.24 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.1 ptm -88.75 -23.34 22.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 63.32 110.863 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.546 ' HE2' HD11 ' A' ' 122' ' ' LEU . 0.7 OUTLIER -89.34 -12.18 41.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 64.12 110.873 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.67 -0.13 12.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 71.14 111.113 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 48.52 55.01 9.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 71.42 110.884 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.78 124.84 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 64.2 110.9 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -80.72 91.1 5.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 52.5 110.86 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.505 HD21 ' CD1' ' A' ' 124' ' ' PHE . 5.1 mp -65.09 150.73 95.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.616 0.722 . . . . 74.01 110.887 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -48.59 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 71.51 112.384 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.481 HG21 ' CB ' ' A' ' 126' ' ' TYR . 0.2 OUTLIER -76.46 154.84 34.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 63.25 111.138 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.1 m -118.92 -17.91 8.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 72.11 111.156 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.569 HD21 HD11 ' A' ' 49' ' ' LEU . 24.9 mt -100.79 77.29 1.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 45.15 110.893 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.93 -173.84 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.871 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.771 ' HD2' HD23 ' A' ' 42' ' ' LEU . 4.2 p90 -155.05 170.26 22.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.11 110.817 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.753 ' CG2' HD22 ' A' ' 70' ' ' LEU . 42.5 pt -104.39 147.7 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 75.22 111.083 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -29.54 60.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 75.54 110.903 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -6.44 49.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 72.45 111.182 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -101.35 -6.03 24.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 73.33 110.825 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.477 HG13 ' CE1' ' A' ' 84' ' ' PHE . 11.1 mm -123.73 -40.98 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 73.23 111.145 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.508 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 7.9 ttp180 -48.3 -59.73 5.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 74.43 110.852 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.4 Cg_endo -69.76 12.36 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 74.25 112.344 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.431 ' H ' ' C ' ' A' ' 90' ' ' ARG . 0.1 OUTLIER -118.7 -25.85 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 55.23 110.891 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.562 HD23 ' HG3' ' A' ' 37' ' ' LYS . 40.9 mt -65.21 -116.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.443 . . . . 54.42 110.91 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.439 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -134.31 141.66 47.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 75.15 110.872 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -68.91 -25.11 64.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 70.11 110.854 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -100.46 -3.73 30.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 73.41 110.83 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.747 HD13 ' OE2' ' A' ' 33' ' ' GLU . 14.8 tp -65.98 -19.31 65.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 64.43 110.917 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.417 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 23.3 mmm-85 63.51 155.62 0.12 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.709 . . . . 74.34 110.852 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.5 Cg_endo -69.75 70.9 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 72.41 112.302 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.0 p -96.95 -12.8 22.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 70.02 110.893 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.532 ' CZ ' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -51.62 -51.5 55.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 65.22 110.873 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.03 -21.57 12.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 61.23 111.09 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.02 -20.84 17.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 72.24 110.915 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.28 -19.95 29.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 31.31 111.067 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.649 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 12.8 mm -48.87 -51.08 57.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.59 0.709 . . . . 45.44 111.113 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.0 Cg_endo -69.72 -15.93 37.48 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.75 2.3 . . . . 75.42 112.329 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 13.1 m -94.99 -17.32 22.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 60.14 110.936 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.654 HD11 HG22 ' A' ' 35' ' ' VAL . 3.4 mm? -95.25 -22.32 17.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 63.33 110.929 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.459 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 13.0 ptp180 -87.55 -31.56 19.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.845 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -56.4 -21.16 23.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.85 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.585 ' CG2' HG21 ' A' ' 17' ' ' THR . 5.7 pt -101.1 -9.15 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 75.45 111.144 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 69.69 14.39 8.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 72.15 110.902 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.543 ' HB2' HD12 ' A' ' 111' ' ' ILE . 19.7 tpp180 -69.21 -31.58 70.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 71.21 110.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.528 HD12 ' N ' ' A' ' 115' ' ' ARG . 2.4 pp -150.27 -178.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 64.43 111.132 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.528 ' N ' HD12 ' A' ' 114' ' ' ILE . 3.9 mtp85 -144.33 175.22 10.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 75.41 110.877 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.492 ' CD ' HG23 ' A' ' 105' ' ' ILE . 1.2 pm0 -149.55 127.28 11.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.42 110.86 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -113.23 103.94 11.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 63.04 110.909 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.71 102.11 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 72.25 110.856 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 4.9 m -117.18 81.83 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.88 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 66.95 -140.17 37.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 51.24 112.472 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 3.14 2.92 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.697 2.265 . . . . 75.02 112.368 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.546 HD11 ' HE2' ' A' ' 73' ' ' LYS . 8.6 mt -117.0 175.68 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.888 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.6 m -161.23 118.65 2.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 74.14 111.139 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.505 ' CD1' HD21 ' A' ' 78' ' ' LEU . 14.5 m-85 -96.4 168.51 10.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 72.24 110.841 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.411 ' CD2' ' HB3' ' A' ' 116' ' ' GLU . 43.5 m-85 -151.28 118.4 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 73.52 110.941 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.481 ' CB ' HG21 ' A' ' 80' ' ' THR . 0.5 OUTLIER -124.34 149.35 60.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.65 0.738 . . . . 73.42 110.925 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.647 ' HG3' HG21 ' A' ' 6' ' ' ILE . 54.4 Cg_endo -69.73 95.43 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 62.53 112.339 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 44.24 85.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 72.03 112.491 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.62 -61.11 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 74.22 110.85 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 71.32 110.826 -179.792 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.782 0.325 . . . . 72.11 110.893 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -93.82 114.91 27.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 54.33 110.909 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -60.07 118.66 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 64.23 110.828 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.53 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -119.76 156.4 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 75.5 111.107 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.43 163.3 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 71.52 110.856 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.477 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -118.77 -20.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.03 111.162 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.598 HG23 ' HB2' ' A' ' 39' ' ' ASP . 6.1 m -154.28 99.7 2.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.643 0.735 . . . . 45.23 111.101 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 164.17 35.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.24 . . . . 74.22 112.316 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -69.11 170.81 9.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 64.5 110.882 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.843 HD11 ' HB3' ' A' ' 31' ' ' MET . 10.1 pt -121.89 114.5 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 70.33 111.114 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.72 -169.19 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 53.54 111.122 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.891 ' HA ' HD11 ' A' ' 28' ' ' LEU . 25.6 t0 -61.6 -21.94 64.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 71.04 110.855 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -84.2 -26.03 29.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.893 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.609 ' O ' HG22 ' A' ' 17' ' ' THR . 26.2 mm-40 -95.79 -23.58 16.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 65.14 110.909 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.597 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 16.1 t80 -89.01 -25.38 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 71.44 110.869 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -67.37 -9.51 42.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 61.13 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 14' ' ' GLU . 12.4 t -76.86 -19.73 57.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 65.04 111.173 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.554 ' O ' HD11 ' A' ' 23' ' ' LEU . 2.5 mp -103.92 113.66 65.2 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.592 0.71 . . . . 60.44 111.115 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 158.97 55.16 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 70.42 112.349 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -20.8 29.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 65.42 110.896 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -61.8 -20.24 63.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.978 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -111.01 -36.28 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.938 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.597 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 9.3 mt -71.11 -51.87 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.857 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.75 -92.82 0.11 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 74.11 112.474 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -106.89 24.04 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 75.44 110.839 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.432 HD11 ' N ' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -101.74 170.8 7.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 74.52 110.949 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.08 164.08 39.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 43.12 111.166 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.891 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -52.6 -43.26 65.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 71.35 110.945 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.84 -39.28 84.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 71.43 110.845 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.406 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -61.36 -47.52 85.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.878 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.843 ' HB3' HD11 ' A' ' 10' ' ' ILE . 4.9 mtm -75.2 -33.85 61.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 73.12 110.88 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -56.59 -42.04 78.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 73.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.594 ' OE1' HD22 ' A' ' 97' ' ' LEU . 7.1 pt-20 -81.22 -34.24 32.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.901 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.563 ' HA ' HD21 ' A' ' 93' ' ' LEU . 38.0 mt -64.01 -46.39 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 70.21 111.124 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.723 HG22 HD11 ' A' ' 108' ' ' LEU . 15.6 t -75.74 -33.43 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 75.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -67.75 -53.35 27.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.876 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -64.87 -50.75 65.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 55.25 110.921 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.513 ' HA ' HD12 ' A' ' 89' ' ' ILE . 28.5 ttt -52.87 -43.25 65.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.851 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.598 ' HB2' HG23 ' A' ' 7' ' ' VAL . 52.0 t0 -65.96 -29.54 69.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 63.42 110.858 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.12 -52.78 53.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.842 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.424 ' HD2' HD13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -63.24 -43.42 98.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 73.34 110.876 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -68.3 -29.1 67.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 75.31 110.919 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.477 ' N ' HD11 ' A' ' 6' ' ' ILE . 56.5 ttp -69.7 -38.39 76.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 64.32 110.855 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.684 ' O ' HD12 ' A' ' 48' ' ' ILE . 9.1 ptmt -72.24 -38.24 68.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.874 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.443 ' HE3' HD23 ' A' ' 82' ' ' LEU . 19.9 tttp -63.26 -51.71 65.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 54.24 110.916 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.5 p -63.21 -27.79 69.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 64.21 110.846 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -30.03 65.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 72.53 110.921 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 44' ' ' LYS . 3.9 mt -80.19 -32.14 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 64.32 111.16 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.474 ' CD1' HD21 ' A' ' 82' ' ' LEU . 5.8 mt -61.38 -21.61 64.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 55.44 110.916 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -106.46 -33.96 3.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 53.0 112.482 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -174.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 73.21 110.924 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.3 p -129.8 177.74 7.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 41.22 111.155 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.46 -15.08 62.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.52 110.881 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -50.11 17.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.905 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 -84.78 -27.69 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 73.3 110.884 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.715 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.2 tt -56.79 127.92 34.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.918 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.4 -173.69 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 75.1 111.176 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -60.2 -54.3 47.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 63.04 110.919 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.685 ' O ' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -53.5 -30.59 42.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 52.44 110.883 -179.836 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.617 ' OD1' HD11 ' A' ' 48' ' ' ILE . 55.2 m-20 -75.86 -30.7 58.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 70.22 110.926 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.715 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -75.82 -34.6 60.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 64.33 110.856 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 59' ' ' SER . 15.8 pt-20 -75.47 -36.3 60.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.863 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 59' ' ' SER . 27.7 m -70.23 -41.55 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 65.51 111.136 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.834 HD12 ' N ' ' A' ' 65' ' ' ASP . 4.4 pp -71.3 -33.53 69.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.877 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.834 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -69.82 -30.94 68.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.871 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -78.32 -44.86 24.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 72.52 110.863 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -41.26 85.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.927 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -74.11 -30.36 62.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 72.31 110.866 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.68 -41.58 98.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 72.13 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.14 -34.73 56.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.889 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -57.58 -45.67 84.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 72.04 110.87 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -36.34 34.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 72.51 110.879 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -18.47 42.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 52.21 110.881 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.5 1.17 14.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 73.3 111.117 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.6 tpp85 49.15 31.91 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.877 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.4 mttt 179.81 136.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 64.34 110.876 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 85.7 mtm-85 -75.35 101.54 4.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 74.25 110.878 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.504 HD11 ' SG ' ' A' ' 119' ' ' CYS . 2.0 mp -50.52 162.37 0.55 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.573 0.702 . . . . 55.05 110.928 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -7.22 20.52 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.712 2.275 . . . . 74.01 112.349 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.649 HG21 ' HB2' ' A' ' 126' ' ' TYR . 1.3 m -132.3 155.44 48.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 74.21 111.141 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.4 m -107.42 -23.7 12.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 74.21 111.139 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.474 HD21 ' CD1' ' A' ' 49' ' ' LEU . 15.5 mt -104.88 65.53 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 74.13 110.934 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -119.52 153.97 34.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.912 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -125.82 177.72 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 71.25 110.874 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.6 pt -117.13 148.05 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 72.35 111.13 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.49 -25.1 67.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -7.26 51.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 52.21 111.127 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -109.64 -2.02 17.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 70.54 110.871 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 38' ' ' MET . 16.8 mm -123.84 -40.9 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 70.02 111.161 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.593 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -53.55 -55.06 38.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.622 0.725 . . . . 73.55 110.841 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.9 Cg_endo -69.73 1.14 4.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.66 2.24 . . . . 51.12 112.338 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.98 -32.01 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 73.31 110.88 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.563 HD21 ' HA ' ' A' ' 34' ' ' ILE . 87.2 mt -62.15 -104.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 70.25 110.915 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.405 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 1.8 mt-30 -139.94 137.13 34.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.916 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -67.05 -20.75 65.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 65.34 110.875 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.25 -3.63 28.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.834 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.594 HD22 ' OE1' ' A' ' 33' ' ' GLU . 16.7 tp -65.06 -21.71 66.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 70.11 110.943 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? 65.14 164.18 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 73.22 110.907 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 71.67 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 64.35 112.37 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 p -97.74 -22.49 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 75.41 110.871 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -51.37 -49.54 61.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 73.32 110.887 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.33 -22.5 12.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 62.13 111.082 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.46 -20.96 18.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 64.13 110.889 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.432 ' N ' HD11 ' A' ' 26' ' ' LEU . . . -90.88 -13.44 33.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 63.43 111.049 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.633 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.5 mm -45.6 -52.69 22.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 73.41 111.117 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.2 Cg_endo -69.71 -28.83 25.01 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.649 2.233 . . . . 73.51 112.399 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.6 m -77.4 -17.76 57.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.86 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.723 HD11 HG22 ' A' ' 35' ' ' VAL . 2.1 mm? -88.56 -37.0 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.876 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -82.35 -30.28 30.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 71.03 110.911 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -56.92 -21.47 30.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 72.55 110.857 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.58 HG22 HG21 ' A' ' 17' ' ' THR . 13.1 pt -101.09 -9.79 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 74.44 111.093 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 72.03 57.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.1 110.902 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.526 ' CD ' HD12 ' A' ' 111' ' ' ILE . 71.5 mtt-85 -120.78 -38.33 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 55.52 110.882 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.505 HG22 HG11 ' A' ' 7' ' ' VAL . 1.3 pp -148.17 163.44 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 52.02 111.141 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.3 176.69 6.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.15 110.89 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.475 ' OE1' HG23 ' A' ' 105' ' ' ILE . 0.9 OUTLIER -140.22 125.57 18.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 75.31 110.907 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -112.57 108.74 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.906 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -75.87 101.63 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.868 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.504 ' SG ' HD11 ' A' ' 78' ' ' LEU . 30.9 m -115.06 82.13 1.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 75.52 110.893 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 68.9 -141.2 35.82 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 53.23 112.508 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 4.22 2.33 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.662 2.241 . . . . 75.21 112.332 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.6 mt -121.28 175.6 6.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 55.11 110.868 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -153.47 125.6 7.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 62.54 111.126 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.447 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 87.5 m-85 -105.54 168.92 8.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 53.11 110.89 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -150.34 130.54 13.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 74.34 110.93 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.649 ' HB2' HG21 ' A' ' 80' ' ' THR . 4.0 p90 -123.9 154.27 67.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.739 . . . . 65.1 110.953 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 81.6 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.252 . . . . 74.53 112.346 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 53.67 -179.23 0.15 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 54.32 112.531 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.5 m -95.61 -26.31 15.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 61.1 110.868 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 75.15 110.859 -179.804 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mtt . . . . . 0 CA--C 1.525 0.018 0 CA-C-O 120.81 0.338 . . . . 73.55 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -124.4 136.09 53.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 74.52 110.872 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -100.31 104.26 15.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 52.14 110.857 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.54 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -118.15 155.06 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 64.2 111.131 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.99 147.4 47.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 75.22 110.907 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.691 HD11 ' HA ' ' A' ' 43' ' ' MET . 1.5 mp -97.06 -32.96 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 61.33 111.131 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.621 HG23 ' HB2' ' A' ' 39' ' ' ASP . 13.5 m -152.56 100.6 2.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.731 . . . . 71.1 111.117 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.9 Cg_endo -69.72 163.05 39.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 72.33 112.349 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -54.14 168.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.91 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.88 HD11 ' HB3' ' A' ' 31' ' ' MET . 16.2 pt -120.86 127.41 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 63.24 111.15 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.04 -171.7 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 73.21 111.158 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.778 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -58.94 -20.68 54.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.838 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -74.37 -28.96 61.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.891 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.555 ' O ' HG22 ' A' ' 17' ' ' THR . 72.9 mm-40 -100.04 -46.32 5.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 63.35 110.893 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -55.39 -34.72 64.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 74.54 110.904 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -9.84 58.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 75.33 110.926 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -77.93 -2.32 36.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 72.14 111.193 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.468 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.2 mp -113.95 130.69 23.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.593 0.711 . . . . 74.43 111.175 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.27 64.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.271 . . . . 62.12 112.343 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -23.32 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 72.02 110.884 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -63.5 -24.18 67.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.925 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -98.38 -37.55 9.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 71.34 110.905 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.468 HD21 ' HB ' ' A' ' 18' ' ' ILE . 14.5 mt -68.62 -48.97 62.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 61.15 110.923 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.82 -85.57 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 53.21 112.478 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -127.43 19.42 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 72.41 110.884 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 100' ' ' SER . 0.2 OUTLIER -86.27 174.79 8.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 63.32 110.921 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -152.14 162.69 40.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 75.33 111.123 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.778 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -51.34 -41.25 60.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 70.11 110.923 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.37 -43.79 96.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 73.32 110.877 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.4 mtt -60.69 -44.23 96.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 60.42 110.91 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.88 ' HB3' HD11 ' A' ' 10' ' ' ILE . 34.8 mtt -74.79 -34.36 62.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 71.42 110.853 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -57.01 -41.12 77.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.894 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.724 ' OE1' HD22 ' A' ' 97' ' ' LEU . 12.7 pt-20 -81.52 -33.16 31.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 52.14 110.865 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.588 HG23 ' CZ ' ' A' ' 101' ' ' PHE . 37.0 mt -66.24 -46.71 86.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 73.1 111.157 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 31' ' ' MET . 18.2 t -75.01 -32.38 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 73.35 111.136 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 t -68.65 -51.93 36.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 73.31 110.9 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.575 ' HG3' HG23 ' A' ' 89' ' ' ILE . 2.5 tppt? -63.29 -47.7 81.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 75.32 110.951 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.836 ' HA ' HD13 ' A' ' 89' ' ' ILE . 27.5 tpp -55.6 -45.95 77.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 60.12 110.888 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.621 ' HB2' HG23 ' A' ' 7' ' ' VAL . 38.6 t0 -66.75 -28.74 68.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 71.43 110.883 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -63.27 -56.09 19.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 63.52 110.882 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.446 ' CG ' ' CE2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -62.35 -43.22 99.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 74.55 110.88 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.635 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -67.35 -27.78 67.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 75.22 110.944 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.691 ' HA ' HD11 ' A' ' 6' ' ' ILE . 57.6 ttp -71.04 -37.87 72.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 75.32 110.916 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.541 ' O ' HD12 ' A' ' 48' ' ' ILE . 2.8 ptmm? -71.64 -38.98 70.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.908 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -64.16 -51.87 61.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 52.43 110.894 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.0 p -61.14 -29.0 69.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 61.12 110.84 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -29.85 63.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 70.41 110.886 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 44' ' ' LYS . 5.9 mt -77.61 -32.2 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 72.14 111.12 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.614 HD11 HD21 ' A' ' 82' ' ' LEU . 5.6 mt -63.54 -20.95 66.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 64.14 110.922 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -104.23 -37.26 2.92 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 61.11 112.475 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -62.13 171.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 75.23 110.894 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.15 170.64 7.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 64.11 111.151 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -58.9 -24.06 61.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 74.53 110.858 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -69.24 -39.44 78.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 61.34 110.944 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -82.41 -32.1 29.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 72.3 110.928 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.72 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -50.81 130.06 24.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 63.53 110.948 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.75 -175.29 2.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 70.03 111.121 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -54.29 -54.87 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 65.4 110.905 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.585 ' O ' HG13 ' A' ' 63' ' ' VAL . 3.9 m -53.83 -33.61 56.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 40.14 110.83 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -74.01 -31.79 63.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.852 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.72 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -76.12 -41.06 51.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 74.12 110.894 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.95 -37.5 84.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.25 110.867 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 59' ' ' SER . 34.1 m -72.87 -39.02 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 74.5 111.136 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.22 -45.3 93.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 71.15 110.918 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -36.11 81.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 72.22 110.85 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -71.38 -49.38 42.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 72.45 110.862 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.473 ' HA ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -54.94 -41.61 71.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.921 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -25.27 61.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 70.24 110.82 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.92 -35.81 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 65.11 110.893 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 67' ' ' TRP . 2.2 mt -76.16 -37.63 57.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 72.41 110.956 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -69.9 -29.34 66.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 54.11 110.904 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.3 ptm -89.18 -16.81 30.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 73.25 110.853 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -96.57 -7.94 33.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.906 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.54 -0.19 14.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 74.51 111.147 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 49.53 27.56 2.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.876 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -179.44 121.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 75.24 110.893 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -62.06 97.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.897 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.596 HD11 ' SG ' ' A' ' 119' ' ' CYS . 4.1 mp -49.8 154.8 1.66 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.648 0.737 . . . . 72.22 110.885 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -7.7 21.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.253 . . . . 51.15 112.363 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.739 HG21 ' CD1' ' A' ' 126' ' ' TYR . 1.7 t -126.8 159.15 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.35 111.169 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.405 HG23 ' HH2' ' A' ' 67' ' ' TRP . 6.6 m -114.12 -23.49 9.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 73.21 111.162 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.614 HD21 HD11 ' A' ' 49' ' ' LEU . 11.6 mt -102.92 67.46 0.96 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 50.42 110.894 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.63 ' HD2' HG23 ' A' ' 80' ' ' THR . 8.8 p90 -122.46 154.75 37.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.861 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -128.38 175.61 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 63.43 110.888 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.485 HD12 ' OG1' ' A' ' 87' ' ' THR . 14.6 pt -113.53 152.32 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 75.44 111.165 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -76.02 -23.43 55.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 75.01 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.485 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -73.13 -5.4 38.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.22 111.118 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -112.9 -2.53 14.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 62.12 110.868 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.836 HD13 ' HA ' ' A' ' 38' ' ' MET . 43.9 mt -125.71 -39.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 70.55 111.149 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.588 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -49.7 -54.8 27.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.72 . . . . 70.45 110.867 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.8 0.02 6.28 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.717 2.278 . . . . 71.54 112.337 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.76 -29.84 11.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.897 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.408 HD23 ' CB ' ' A' ' 37' ' ' LYS . 25.8 mt -57.55 -101.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 75.21 110.898 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.519 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.9 tt0 -142.92 144.8 32.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 64.13 110.871 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -67.64 -39.94 84.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.883 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.09 18.03 4.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 73.51 110.892 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.724 HD22 ' OE1' ' A' ' 33' ' ' GLU . 13.2 tp -79.15 -24.49 43.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.871 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 64.34 164.71 0.12 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.665 0.745 . . . . 73.21 110.821 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 67.36 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.651 2.234 . . . . 73.04 112.379 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.462 ' HB2' HD21 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -99.21 -27.15 13.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 61.01 110.891 -179.847 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.588 ' CZ ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -50.27 -54.07 23.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 45.33 110.866 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.31 -22.69 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 63.24 111.059 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -95.8 -18.95 20.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 54.04 110.883 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -90.03 -20.91 22.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 61.45 111.072 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.634 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.8 mm -46.6 -52.8 28.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.637 0.732 . . . . 74.24 111.162 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.71 -19.39 36.4 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.738 2.292 . . . . 42.34 112.329 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.401 ' O ' HG23 ' A' ' 111' ' ' ILE . 34.0 m -83.24 -33.88 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 51.45 110.919 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.514 HD23 ' N ' ' A' ' 108' ' ' LEU . 3.2 mt -70.73 -53.88 13.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 64.45 110.932 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -60.61 -31.0 70.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.82 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -59.05 -20.59 54.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.87 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.486 HG22 ' CG2' ' A' ' 17' ' ' THR . 0.2 OUTLIER -101.46 -3.47 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 55.51 111.133 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 68.26 49.52 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 72.12 110.88 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -109.76 -40.62 4.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 62.44 110.831 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.3 pp -148.47 -177.78 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 54.41 111.164 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.432 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.2 OUTLIER -137.32 171.12 14.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 63.35 110.883 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.96 130.18 29.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 64.41 110.932 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.22 105.67 14.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 72.32 110.908 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -75.3 103.32 5.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 65.44 110.831 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.596 ' SG ' HD11 ' A' ' 78' ' ' LEU . 35.0 m -117.8 81.96 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.9 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 70.6 -140.88 32.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 72.22 112.467 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 2.23 3.7 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.663 2.242 . . . . 53.35 112.334 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 34.6 mt -117.68 170.89 8.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 65.43 110.904 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.23 120.14 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 53.11 111.131 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.464 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 96.3 m-85 -100.57 172.61 7.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 71.23 110.868 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -152.65 127.91 9.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.495 . . . . 72.04 110.955 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.739 ' CD1' HG21 ' A' ' 80' ' ' THR . 7.3 p90 -126.06 155.83 72.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 73.54 110.949 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.669 ' O ' ' C ' ' A' ' 128' ' ' GLY . 53.9 Cg_endo -69.76 112.24 3.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.266 . . . . 74.35 112.32 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.669 ' C ' ' O ' ' A' ' 127' ' ' PRO . . . -5.96 97.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 43.21 112.513 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 51.9 p -50.57 162.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 40.44 110.894 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 72.2 110.823 -179.824 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.807 0.337 . . . . 62.43 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -147.5 135.11 20.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 74.22 110.91 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -54.85 145.52 19.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.869 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.539 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -119.3 156.22 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 51.21 111.085 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.33 145.51 43.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 62.3 110.915 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.765 HD13 ' HB3' ' A' ' 42' ' ' LEU . 3.0 mp -92.8 -36.63 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 65.54 111.148 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 7' ' ' VAL . 4.9 m -154.47 99.52 2.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 74.3 111.113 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.7 Cg_endo -69.84 173.92 10.34 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 75.1 112.343 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -51.59 156.24 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 53.15 110.938 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.801 HD11 ' HB3' ' A' ' 31' ' ' MET . 1.1 pt -119.21 112.02 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 65.21 111.133 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.48 -171.69 1.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 52.45 111.161 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.805 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -59.53 -23.26 62.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 74.15 110.866 179.891 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -53.02 -30.47 35.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.35 110.884 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.691 ' O ' HG22 ' A' ' 17' ' ' THR . 8.1 mm-40 -102.06 -42.25 6.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 72.21 110.883 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.511 ' CE2' HD13 ' A' ' 23' ' ' LEU . 18.4 t80 -61.97 -23.68 66.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 75.22 110.85 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -72.94 -28.06 62.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.868 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.691 HG22 ' O ' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -77.82 -3.39 41.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 71.35 111.124 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.448 ' O ' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -127.1 88.62 53.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.728 . . . . 74.3 111.133 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -175.76 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.715 2.277 . . . . 75.12 112.335 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -55.22 -23.5 22.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 72.3 110.888 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -68.72 -16.44 63.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 63.33 110.931 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -112.56 -41.12 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 74.5 110.9 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.511 HD13 ' CE2' ' A' ' 15' ' ' PHE . 5.0 mt -79.98 -48.28 13.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 73.24 110.904 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.48 -60.82 4.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 50.54 112.516 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -148.62 15.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 74.45 110.915 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.456 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 0.2 OUTLIER -93.42 175.35 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 71.23 110.924 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.12 163.35 37.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 74.04 111.125 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.805 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -50.03 -42.37 49.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 73.21 110.9 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -41.47 93.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 53.42 110.889 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.434 ' HB2' HD23 ' A' ' 26' ' ' LEU . 17.4 mmt -63.27 -41.66 99.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 72.33 110.871 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.801 ' HB3' HD11 ' A' ' 10' ' ' ILE . 87.6 mtp -75.17 -37.55 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 63.43 110.915 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -57.04 -42.07 79.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 64.22 110.911 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.699 ' CD ' HD13 ' A' ' 97' ' ' LEU . 7.8 pt-20 -79.26 -27.54 42.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.886 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.551 HG22 ' CE ' ' A' ' 38' ' ' MET . 33.8 mt -73.97 -45.46 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 54.1 111.155 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 31' ' ' MET . 7.8 t -73.77 -28.28 24.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 74.01 111.087 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -73.94 -42.83 59.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 61.1 110.863 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -68.48 -49.14 61.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 72.35 110.905 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.551 ' CE ' HG22 ' A' ' 34' ' ' ILE . 19.3 ptp -58.58 -38.92 78.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 72.32 110.914 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -68.39 -29.78 68.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 70.43 110.903 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.37 -51.87 46.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.917 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.642 ' CD2' HD11 ' A' ' 89' ' ' ILE . 3.4 t80 -61.94 -46.05 91.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.846 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.768 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -65.82 -35.31 80.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.882 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.637 ' HA ' HD11 ' A' ' 6' ' ' ILE . 51.4 ttp -62.76 -39.45 94.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 71.41 110.862 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.542 ' O ' HD12 ' A' ' 48' ' ' ILE . 5.9 ptmt -70.37 -35.26 73.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.891 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -62.55 -53.96 46.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.87 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -62.67 -26.31 68.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 71.02 110.827 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -29.07 62.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.893 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 44' ' ' LYS . 5.9 mt -80.02 -32.64 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 62.41 111.126 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.445 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.9 mt -62.04 -19.54 63.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 75.13 110.905 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.4 -26.03 5.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 40.11 112.467 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -174.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 74.12 110.921 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.0 p -133.89 173.55 11.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 75.43 111.194 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -56.0 -24.78 41.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 53.14 110.91 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -66.31 -38.13 87.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 75.3 110.886 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.521 ' O ' HG23 ' A' ' 57' ' ' THR . 5.8 tp-100 -90.78 -33.99 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 61.52 110.914 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.68 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.1 tt -50.11 128.84 19.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 42.02 110.925 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 55' ' ' GLN . 26.7 p -124.96 -172.86 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.44 111.181 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -52.78 -53.31 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 75.31 110.828 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.601 ' O ' HG13 ' A' ' 63' ' ' VAL . 3.5 m -56.1 -29.62 60.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 71.22 110.898 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -74.59 -33.35 62.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 62.53 110.837 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.68 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -75.92 -36.55 59.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 60.22 110.887 -179.851 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.88 -36.59 72.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 71.34 110.856 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.601 HG13 ' O ' ' A' ' 59' ' ' SER . 29.6 m -73.79 -39.55 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 52.55 111.088 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.471 HD12 ' HE3' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -64.72 -44.95 88.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.909 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.49 -35.12 79.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 73.54 110.867 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -74.73 -43.15 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 75.45 110.851 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.491 ' HA ' HD21 ' A' ' 70' ' ' LEU . 7.5 m0 -58.44 -41.37 84.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.978 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.419 ' O ' ' HE3' ' A' ' 72' ' ' MET . 1.9 ptm180 -76.25 -24.35 54.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 71.44 110.884 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -42.01 60.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.896 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.842 HD22 HG23 ' A' ' 85' ' ' ILE . 1.6 pp -73.76 -41.3 62.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 64.34 110.889 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.515 ' N ' HD12 ' A' ' 70' ' ' LEU . 15.5 pt-20 -65.58 -31.51 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.896 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.419 ' HE3' ' O ' ' A' ' 68' ' ' ARG . 6.7 ptp -88.73 -22.59 23.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.892 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.47 ' HB3' HD11 ' A' ' 122' ' ' LEU . 0.6 OUTLIER -75.51 -22.52 57.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 65.1 110.919 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -74.12 -0.35 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 52.14 111.123 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 43.24 37.01 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 71.42 110.845 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -158.42 132.2 7.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.84 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.2 91.97 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 72.14 110.859 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.543 HD21 ' CD1' ' A' ' 124' ' ' PHE . 5.1 mp -59.37 160.37 13.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 73.44 110.91 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.38 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 63.42 112.382 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.58 159.73 16.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 70.21 111.112 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 81' ' ' THR . 18.1 m -118.82 -8.56 10.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 64.31 111.133 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 mt -103.59 74.49 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.936 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.89 -175.4 3.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 75.35 110.901 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.768 ' HD2' HD23 ' A' ' 42' ' ' LEU . 2.2 p90 -152.25 171.83 17.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.879 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.842 HG23 HD22 ' A' ' 70' ' ' LEU . 45.7 pt -108.07 143.42 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 75.43 111.095 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.97 -25.55 58.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 71.23 110.923 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.39 -8.29 55.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 75.21 111.137 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -112.44 -2.83 14.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.883 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.642 HD11 ' CD2' ' A' ' 41' ' ' PHE . 40.8 mm -123.2 -8.0 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 74.41 111.142 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.526 ' H ' ' HD2' ' A' ' 91' ' ' PRO . 17.1 ttt-85 -86.52 -60.81 0.26 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.605 0.717 . . . . 74.42 110.873 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.526 ' HD2' ' H ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.81 22.64 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.648 2.232 . . . . 72.41 112.331 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' MET . . . . . 0.49 ' H ' ' C ' ' A' ' 90' ' ' ARG . 12.1 ptm -122.68 -26.56 4.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 72.55 110.872 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.424 ' CB ' HD23 ' A' ' 97' ' ' LEU . 1.8 mt -67.0 -129.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 70.15 110.914 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.479 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 23.7 mp0 -114.39 157.21 23.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 70.33 110.917 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -77.74 -20.81 52.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.846 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.89 -8.67 23.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 71.03 110.872 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.699 HD13 ' CD ' ' A' ' 33' ' ' GLU . 22.6 tp -65.49 -31.06 71.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.54 110.887 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 61.7 162.5 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 64.23 110.852 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 70.76 1.56 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.703 2.269 . . . . 75.43 112.322 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 m -94.31 -15.99 23.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 73.01 110.826 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.19 -53.52 34.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 63.35 110.892 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.05 -23.78 8.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 42.22 111.081 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -94.19 -22.95 18.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 74.23 110.928 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.456 ' HB2' ' CD2' ' A' ' 26' ' ' LEU . . . -91.77 -9.14 44.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 70.34 111.105 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.649 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.0 mm -49.14 -50.93 60.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.634 0.731 . . . . 75.05 111.129 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.73 -33.27 17.03 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.728 2.286 . . . . 65.31 112.332 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.0 -8.47 58.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 51.02 110.861 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.467 HD11 HG22 ' A' ' 35' ' ' VAL . 1.6 mm? -101.2 -27.95 12.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.914 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 19.8 ptt180 -91.36 -32.12 15.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 64.14 110.876 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -56.87 -21.27 28.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.854 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.664 HG22 HG21 ' A' ' 17' ' ' THR . 20.7 pt -96.61 -11.4 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 52.24 111.131 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.4 53.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 75.44 110.901 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -117.52 -28.91 5.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.875 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.563 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.6 pp -147.67 179.01 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.01 111.177 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.563 ' N ' HD12 ' A' ' 114' ' ' ILE . 31.4 mtp85 -141.36 169.77 16.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 73.51 110.913 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.71 129.21 16.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.53 110.93 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -114.86 106.62 14.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 71.23 110.888 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.88 101.9 10.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.876 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 4.2 m -125.69 97.15 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 75.14 110.936 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 57.33 -149.64 31.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 74.3 112.486 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 41.58 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.707 2.271 . . . . 73.15 112.33 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.47 HD11 ' HB3' ' A' ' 73' ' ' LYS . 62.2 mt -150.29 167.53 26.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 71.2 110.887 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.76 111.56 4.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 70.05 111.14 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.543 ' CD1' HD21 ' A' ' 78' ' ' LEU . 26.1 m-85 -95.71 162.89 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 73.31 110.92 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -150.55 118.27 6.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 73.22 110.871 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.05 157.98 59.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.688 0.756 . . . . 72.13 110.902 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 97.7 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 73.01 112.351 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 51.1 -149.99 6.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 73.05 112.545 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.3 t -124.9 -41.31 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 74.23 110.867 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.2 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 73.14 110.811 -179.801 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.804 0.335 . . . . 51.41 110.947 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -76.95 -30.02 55.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 73.23 110.883 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -79.76 98.7 7.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 64.13 110.854 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.515 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -118.76 159.3 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.03 111.158 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptp85 -71.06 177.47 3.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 55.34 110.858 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.505 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -121.35 -17.12 5.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 71.22 111.163 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.584 HG23 ' HB3' ' A' ' 39' ' ' ASP . 16.6 m -153.53 106.14 2.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.678 0.751 . . . . 71.52 111.144 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 179.6 3.58 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.625 2.217 . . . . 61.45 112.381 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.86 164.36 26.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 71.44 110.878 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.829 HD11 ' HB3' ' A' ' 31' ' ' MET . 13.0 pt -118.24 126.76 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 73.32 111.151 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.475 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -98.61 -170.82 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.23 111.127 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.683 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -57.39 -21.64 37.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.858 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -70.36 -29.37 66.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 74.04 110.933 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.416 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 14.6 mm-40 -101.88 -46.0 5.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 74.2 110.888 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.45 ' HA ' HD12 ' A' ' 18' ' ' ILE . 18.1 t80 -55.42 -34.27 64.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 74.42 110.845 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -21.66 49.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.864 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 p -76.72 -10.3 59.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 72.53 111.15 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.593 ' O ' HD11 ' A' ' 23' ' ' LEU . 2.5 mt -113.7 100.02 51.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 73.22 111.128 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 167.14 25.32 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.708 2.272 . . . . 72.01 112.371 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -56.53 -20.27 19.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.87 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -61.6 -17.51 55.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 70.21 110.925 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -117.25 -36.89 3.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.12 110.903 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.593 HD11 ' O ' ' A' ' 18' ' ' ILE . 9.3 mt -68.73 -49.35 59.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 63.23 110.887 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.25 -80.38 0.62 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.752 -0.737 . . . . 43.04 112.499 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.9 mtm-85 -128.56 11.19 6.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 74.23 110.891 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.473 ' O ' HG23 ' A' ' 27' ' ' THR . 0.4 OUTLIER -89.77 -179.54 5.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.952 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 26' ' ' LEU . 1.8 p -157.61 167.61 29.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 74.42 111.128 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.683 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -50.14 -42.14 50.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 72.2 110.93 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.72 -42.68 97.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 71.31 110.859 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.6 mtt -63.49 -39.93 95.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 63.33 110.883 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.829 ' HB3' HD11 ' A' ' 10' ' ' ILE . 65.9 mtp -74.2 -39.11 63.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.901 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -57.44 -43.9 84.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 61.53 110.907 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.625 ' CD ' HD22 ' A' ' 97' ' ' LEU . 16.5 pt-20 -75.24 -27.38 59.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.881 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.037 HD11 HD11 ' A' ' 97' ' ' LEU . 33.5 mt -72.88 -50.47 32.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 75.14 111.091 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.776 HG22 HD11 ' A' ' 108' ' ' LEU . 4.8 t -67.5 -27.84 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.23 111.13 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.07 -45.56 56.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.808 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -44.77 69.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 71.1 110.899 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.561 ' HE2' ' HA ' ' A' ' 35' ' ' VAL . 39.0 mtm -58.14 -52.61 64.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 74.03 110.861 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.584 ' HB3' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -62.16 -32.4 73.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 64.33 110.863 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.95 -52.02 67.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 63.44 110.886 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.73 -49.84 71.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 63.41 110.883 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.74 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -62.52 -32.05 72.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 64.41 110.89 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.467 ' N ' HD11 ' A' ' 6' ' ' ILE . 45.6 ttp -66.89 -37.63 84.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 75.23 110.884 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -69.7 -36.12 75.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.89 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 1.1 ttmp? -65.07 -54.19 33.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 73.42 110.845 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.7 p -60.5 -27.35 67.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 74.14 110.825 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -29.04 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.894 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' ' 44' ' ' LYS . 8.2 mt -80.24 -31.54 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 63.43 111.125 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.45 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.7 mt -63.21 -22.53 66.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 71.14 110.954 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -102.07 -37.47 3.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 14.4 112.479 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.67 165.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 72.41 110.923 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.4 168.98 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 61.11 111.133 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -65.56 -20.53 66.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 74.4 110.897 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -75.01 -41.47 59.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 73.03 110.906 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -85.53 -32.2 22.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 75.14 110.901 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.711 HD21 ' HD2' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -53.86 139.98 31.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 53.33 110.925 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.4 p -115.62 -174.05 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 72.24 111.149 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -64.95 -37.51 87.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 72.25 110.894 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.498 ' O ' HG13 ' A' ' 63' ' ' VAL . 5.3 m -57.57 -36.81 72.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.888 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -72.26 -32.28 66.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 74.24 110.843 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.711 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -77.6 -38.92 47.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 73.23 110.886 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -67.11 -37.6 84.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.846 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 59' ' ' SER . 31.3 m -73.87 -40.65 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 72.13 111.175 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.418 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -60.17 -43.57 95.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 73.32 110.913 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -35.42 74.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.899 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -72.74 -40.92 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.898 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.409 ' HA ' HD21 ' A' ' 70' ' ' LEU . 19.8 m0 -65.26 -36.44 84.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 75.3 110.904 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -25.84 57.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 72.21 110.856 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -40.55 62.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.86 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.685 HD22 ' CG2' ' A' ' 85' ' ' ILE . 3.5 pp -75.28 -31.94 60.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 72.15 110.899 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.616 ' N ' HD12 ' A' ' 70' ' ' LEU . 4.4 pt-20 -72.27 -32.88 67.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 75.33 110.861 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.9 ptp -89.25 -13.07 38.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.852 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -91.26 -19.0 23.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 62.02 110.905 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.456 ' HA ' HD12 ' A' ' 122' ' ' LEU . . . -73.49 -2.73 23.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 53.11 111.088 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 45.87 56.66 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.902 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -159.83 150.19 18.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 72.53 110.927 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -93.76 97.27 10.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 73.52 110.849 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.553 HD21 ' CD1' ' A' ' 124' ' ' PHE . 10.7 mp -95.83 107.77 36.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 73.31 110.945 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 78' ' ' LEU . 54.2 Cg_endo -69.74 57.73 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.722 2.281 . . . . 73.23 112.374 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.95 155.41 13.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 41.34 111.135 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 81' ' ' THR . 3.6 m -134.44 29.06 3.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 73.5 111.09 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.618 ' O ' HD11 ' A' ' 42' ' ' LEU . 13.0 mt -139.2 57.77 1.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 74.05 110.916 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -133.01 175.03 9.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 71.21 110.862 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.74 ' HD2' HD23 ' A' ' 42' ' ' LEU . 4.4 p90 -144.47 167.93 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 75.54 110.872 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.685 ' CG2' HD22 ' A' ' 70' ' ' LEU . 46.1 pt -104.84 144.38 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 64.15 111.147 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.78 -25.5 55.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.876 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.436 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -75.58 -7.47 54.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.51 111.161 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.49 -30.43 12.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.833 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.501 HG13 ' CE1' ' A' ' 84' ' ' PHE . 12.4 mm -99.09 -26.19 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 74.32 111.182 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.521 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 1.1 ttp180 -49.21 -58.16 9.6 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.572 0.701 . . . . 72.23 110.871 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.76 4.33 2.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.653 2.235 . . . . 72.51 112.339 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.2 -36.13 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 70.34 110.853 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.704 ' HB3' HD23 ' A' ' 97' ' ' LEU . 97.5 mt -66.93 -115.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 74.23 110.912 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -142.86 149.57 38.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 63.34 110.925 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.21 -54.89 29.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.889 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -72.3 -8.25 53.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 55.44 110.802 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.037 HD11 HD11 ' A' ' 34' ' ' ILE . 15.1 tp -94.65 -15.75 23.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 72.44 110.918 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.509 ' N ' ' HD2' ' A' ' 99' ' ' PRO . 8.3 mtp180 -51.02 -58.91 8.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 64.3 110.868 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 98' ' ' ARG . 53.2 Cg_endo -69.81 -5.22 15.71 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.648 2.232 . . . . 75.25 112.301 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.748 ' HB2' HD12 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -89.02 -17.16 29.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 65.53 110.829 -179.819 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -54.92 27.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.883 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.54 -23.79 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 70.13 111.094 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -94.14 -22.33 18.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.04 110.911 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.21 -21.44 29.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 71.33 111.115 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.632 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.1 mm -47.94 -51.87 44.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 41.33 111.14 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.73 -29.74 23.55 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.713 2.275 . . . . 63.12 112.347 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.467 ' HB2' ' HE3' ' A' ' 31' ' ' MET . 20.9 m -76.73 -15.25 59.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 33.42 110.884 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.776 HD11 HG22 ' A' ' 35' ' ' VAL . 2.8 mm? -93.78 -37.78 11.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 75.42 110.909 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 32.4 ptt85 -82.32 -28.59 31.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.32 110.873 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -56.41 -21.56 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 70.31 110.873 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 11.5 pt -103.56 -7.18 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 74.12 111.111 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 69.76 55.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 72.03 110.823 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -117.2 -29.6 5.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 72.11 110.861 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.549 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.6 pp -148.79 -179.19 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 73.31 111.078 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.549 ' N ' HD12 ' A' ' 114' ' ' ILE . 3.9 mtt180 -140.67 173.38 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 74.55 110.835 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.487 ' OE1' HG23 ' A' ' 105' ' ' ILE . 1.2 pm0 -149.12 126.73 11.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.866 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -112.67 103.96 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 73.32 110.901 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.86 101.79 3.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 75.34 110.903 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 11.4 m -119.26 81.67 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.877 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 68.72 -141.48 36.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 63.42 112.49 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 54.4 Cg_endo -69.66 2.97 3.0 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 72.03 112.39 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 74' ' ' ALA . 62.5 mt -115.84 170.3 8.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 73.15 110.897 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.2 m -156.6 116.26 3.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 72.34 111.124 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.553 ' CD1' HD21 ' A' ' 78' ' ' LEU . 21.8 m-85 -95.43 168.42 10.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 75.43 110.917 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.413 ' CD1' ' HB3' ' A' ' 116' ' ' GLU . 35.2 m-85 -152.48 118.13 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.937 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.3 149.56 49.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.703 0.763 . . . . 73.32 110.902 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 91.27 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 62.53 112.323 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 45.86 83.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 71.53 112.49 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -66.14 0.44 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.863 0.363 . . . . 62.44 110.858 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 70.1 110.872 -179.828 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.78 0.324 . . . . 72.32 110.849 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -103.29 146.89 27.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 73.42 110.899 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.84 111.16 21.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 74.01 110.88 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.531 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -118.87 155.56 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 72.41 111.143 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.59 159.53 1.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 75.45 110.868 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.517 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -113.79 -25.15 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 74.05 111.145 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.731 HG23 ' HB2' ' A' ' 39' ' ' ASP . 12.3 m -153.54 99.03 2.65 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 60.51 111.149 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 54.0 Cg_endo -69.71 171.24 14.76 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.646 2.23 . . . . 75.32 112.4 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -67.01 163.53 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 62.33 110.934 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.756 HD11 ' HB3' ' A' ' 31' ' ' MET . 1.0 OUTLIER -122.87 115.12 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 73.53 111.106 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.536 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -82.18 -172.33 3.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 60.14 111.192 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.738 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -55.95 -26.69 49.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.874 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -60.74 -29.14 69.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 75.34 110.852 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.477 ' O ' HG22 ' A' ' 17' ' ' THR . 76.9 mm-40 -108.11 -39.54 5.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 70.15 110.883 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -55.37 -37.35 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.873 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.29 -0.7 57.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.905 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -78.87 -3.82 46.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 72.14 111.129 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.496 HG13 HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -115.91 150.16 44.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 50.43 111.131 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.87 67.46 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.717 2.278 . . . . 74.33 112.341 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HA ' HD12 ' A' ' 23' ' ' LEU . 1.2 ttmt -64.64 -22.65 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.25 110.92 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -62.56 -16.52 56.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 63.35 110.934 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -106.94 -31.0 8.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 75.41 110.929 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.526 ' HA ' HD12 ' A' ' 26' ' ' LEU . 64.5 mt -61.19 -57.73 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.51 69.29 1.32 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.686 -0.769 . . . . 72.41 112.516 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 67.17 12.63 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 70.44 110.898 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 23' ' ' LEU . 3.4 mt -71.94 156.92 38.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 73.02 110.909 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.06 153.04 48.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 74.21 111.143 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.738 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -49.91 -40.58 43.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 71.13 110.895 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.41 -37.84 82.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 74.14 110.867 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 50.9 mtt -66.91 -45.58 77.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 63.1 110.893 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.756 ' HB3' HD11 ' A' ' 10' ' ' ILE . 89.8 mtp -75.33 -29.6 60.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 73.11 110.846 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -64.61 -41.62 96.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.1 110.933 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.565 ' OE1' HD22 ' A' ' 97' ' ' LEU . 10.0 pt-20 -79.81 -29.28 40.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 65.21 110.916 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.7 mt -70.45 -48.19 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 72.52 111.167 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.749 HG22 HD11 ' A' ' 108' ' ' LEU . 18.3 t -73.01 -31.24 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 74.51 111.17 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -69.27 -50.75 43.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 62.32 110.88 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -62.44 -52.98 61.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 74.1 110.854 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.453 ' HG3' HG21 ' A' ' 89' ' ' ILE . 19.3 mtp -51.58 -45.95 63.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 61.12 110.882 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.731 ' HB2' HG23 ' A' ' 7' ' ' VAL . 55.4 t0 -62.62 -32.1 73.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 55.42 110.904 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.69 -46.91 83.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 64.43 110.872 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.475 ' HD2' HD11 ' A' ' 89' ' ' ILE . 2.3 t80 -64.13 -53.26 52.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 72.12 110.878 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.711 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -62.48 -34.19 76.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 62.54 110.915 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.517 ' N ' HD11 ' A' ' 6' ' ' ILE . 11.1 tpt -62.51 -39.49 93.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 73.12 110.89 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.709 ' O ' HD12 ' A' ' 48' ' ' ILE . 6.6 ptmt -69.55 -35.1 75.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 71.43 110.888 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 29.6 tptt -62.36 -54.7 36.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 71.04 110.873 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -63.26 -24.38 67.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 53.14 110.862 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -29.4 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 62.41 110.88 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -82.51 -32.31 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 74.33 111.096 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.464 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.3 mt -63.41 -18.5 63.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 24.11 110.907 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -109.75 -34.0 2.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 50.45 112.447 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -51.98 171.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.355 . . . . 70.24 110.904 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 p -122.95 -175.34 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 55.04 111.141 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -69.5 -10.99 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 74.24 110.893 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -80.33 -44.79 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.914 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.542 ' O ' HG23 ' A' ' 57' ' ' THR . 24.1 mm-40 -92.13 -24.51 19.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 74.14 110.876 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' C ' HD23 ' A' ' 56' ' ' LEU . 5.7 tt -54.02 122.6 10.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 71.45 110.907 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 55' ' ' GLN . 81.6 p -128.13 -174.18 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 72.13 111.177 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -51.78 -45.93 63.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.427 . . . . 73.13 110.903 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.601 ' O ' HG13 ' A' ' 63' ' ' VAL . 3.5 m -51.42 -33.7 31.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.868 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -75.51 -34.33 60.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 72.32 110.882 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.04 -38.94 66.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.866 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.8 pt-20 -69.16 -40.91 77.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.4 110.85 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.672 HG11 ' HE2' ' A' ' 44' ' ' LYS . 35.1 m -70.41 -38.05 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 64.42 111.093 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.473 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -63.53 -43.89 95.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.944 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -45.29 83.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 62.12 110.84 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -65.11 -45.33 85.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 65.43 110.908 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.714 ' HA ' HD12 ' A' ' 70' ' ' LEU . 3.5 m95 -55.16 -50.09 70.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 64.55 110.923 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -64.03 -22.51 66.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 72.43 110.877 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -34.49 63.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.912 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.732 HD22 HG23 ' A' ' 85' ' ' ILE . 0.5 OUTLIER -75.99 -45.26 35.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 74.42 110.932 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -66.16 -28.48 68.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 72.15 110.873 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.3 ptm -88.17 -17.61 30.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 61.35 110.852 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.22 -16.14 36.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.877 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.768 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -73.36 1.4 9.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 40.44 111.125 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 51.09 31.14 6.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 75.45 110.859 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -175.45 170.57 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 73.21 110.918 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 52.6 mmt-85 -110.55 90.8 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 74.33 110.908 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.9 mp -52.3 161.48 1.03 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 51.12 110.914 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -31.3 21.01 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.743 2.296 . . . . 74.15 112.334 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.71 HG21 ' CG ' ' A' ' 126' ' ' TYR . 6.5 t -106.42 142.51 35.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.54 111.142 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 m -105.48 22.48 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 72.42 111.151 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.68 ' HB3' HD11 ' A' ' 42' ' ' LEU . 13.9 mt -131.02 61.42 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 61.43 110.944 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.442 ' HD2' HG23 ' A' ' 80' ' ' THR . 6.4 p90 -127.31 162.93 25.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 63.24 110.853 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.711 ' HD2' HD23 ' A' ' 42' ' ' LEU . 6.4 p90 -139.35 174.63 10.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 52.44 110.905 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.732 HG23 HD22 ' A' ' 70' ' ' LEU . 38.0 pt -106.49 144.8 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 54.25 111.148 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.6 -26.96 62.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 75.23 110.931 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -6.91 52.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 63.44 111.161 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -97.94 -21.9 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 65.54 110.876 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.475 HD11 ' HD2' ' A' ' 41' ' ' PHE . 10.3 mm -107.77 -34.87 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.44 111.129 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.534 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 11.6 ttm180 -48.91 -58.37 8.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 63.43 110.879 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.0 Cg_endo -69.73 5.4 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 72.44 112.38 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.29 -27.85 9.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 65.52 110.853 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.83 -113.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 74.35 110.959 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.523 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.3 tt0 -139.94 142.96 36.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 73.02 110.909 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -65.8 -40.11 91.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 70.24 110.841 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -89.64 21.93 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 64.02 110.841 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.565 HD22 ' OE1' ' A' ' 33' ' ' GLU . 11.0 tp -82.74 -19.7 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.907 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.547 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 2.9 mmt180 64.36 160.48 0.12 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.566 0.698 . . . . 73.02 110.904 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.547 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.6 Cg_endo -69.74 70.86 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.263 . . . . 61.0 112.353 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.6 p -98.13 -20.78 17.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.864 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -49.85 -53.0 28.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 65.34 110.895 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.17 -21.96 15.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 72.44 111.096 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -96.83 -20.57 18.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 72.24 110.906 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.05 -19.81 29.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 60.55 111.124 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.648 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 12.8 mm -47.8 -51.76 43.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.66 0.743 . . . . 55.45 111.149 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.2 Cg_endo -69.76 -34.6 14.25 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 74.53 112.373 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 6.1 m -75.39 -13.94 60.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 71.23 110.898 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.749 HD11 HG22 ' A' ' 35' ' ' VAL . 2.9 mm? -95.26 -32.18 13.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.905 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.432 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 14.2 ptt85 -87.55 -30.83 20.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 72.45 110.867 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -56.35 -23.95 40.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 71.34 110.846 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.415 HG22 ' CG2' ' A' ' 17' ' ' THR . 0.8 OUTLIER -101.36 -5.07 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 63.22 111.127 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 67.05 57.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.842 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.47 ' CD ' HG12 ' A' ' 7' ' ' VAL . 21.8 tpp85 -116.54 -31.0 5.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 71.21 110.898 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.562 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.7 pp -149.53 -178.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 73.42 111.132 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.562 ' N ' HD12 ' A' ' 114' ' ' ILE . 41.0 mtp180 -144.83 174.76 10.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.897 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.44 ' HB3' ' CD2' ' A' ' 125' ' ' TYR . 0.0 OUTLIER -145.79 125.94 13.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 71.31 110.91 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -113.2 108.99 18.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 73.23 110.913 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.37 102.16 4.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.878 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 25.7 m -115.42 81.15 1.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 42.21 110.877 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.413 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 69.28 -141.43 35.61 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.679 -0.772 . . . . 51.21 112.509 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.413 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 53.9 Cg_endo -69.74 4.87 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 70.32 112.354 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.3 mt -119.63 174.3 6.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.9 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.9 m -155.43 116.57 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 75.13 111.166 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.768 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 67.4 m-85 -96.84 169.21 10.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 54.43 110.888 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 116' ' ' GLU . 16.2 m-85 -150.75 125.22 9.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.51 110.891 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.71 ' CG ' HG21 ' A' ' 80' ' ' THR . 0.6 OUTLIER -125.55 147.98 60.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.731 . . . . 74.2 110.924 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 90.23 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.235 . . . . 74.23 112.372 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 46.35 82.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 72.22 112.469 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.26 -34.98 59.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 74.31 110.835 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 73.12 110.893 -179.83 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.815 0.341 . . . . 64.22 110.853 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -89.24 163.37 15.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 73.3 110.877 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.33 174.69 9.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 75.02 110.869 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.543 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -118.94 154.63 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 55.25 111.107 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.67 143.98 34.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 65.42 110.904 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.659 HD13 ' HB3' ' A' ' 42' ' ' LEU . 3.7 mp -90.58 -38.38 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 74.21 111.111 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 7' ' ' VAL . 6.5 m -155.25 98.35 2.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.739 . . . . 72.04 111.176 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.7 Cg_endo -69.73 170.54 16.3 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.697 2.265 . . . . 74.52 112.324 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -53.68 174.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 73.33 110.945 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.703 HD11 ' HB3' ' A' ' 31' ' ' MET . 8.6 pt -123.1 126.04 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.13 111.123 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.78 175.73 9.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 75.31 111.13 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.974 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -57.05 -32.95 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.22 110.87 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.6 -27.58 64.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.31 110.899 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.557 ' O ' HG22 ' A' ' 17' ' ' THR . 16.8 mm-40 -91.42 -20.71 21.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 72.42 110.869 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.51 ' CD1' HD12 ' A' ' 28' ' ' LEU . 14.2 t80 -94.23 -28.25 15.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 74.01 110.904 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -82.06 3.56 26.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 73.33 110.883 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.604 HG21 HG21 ' A' ' 111' ' ' ILE . 13.1 t -78.91 -17.52 55.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 51.33 111.152 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.446 HG13 HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -110.01 136.02 20.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.634 0.731 . . . . 73.11 111.127 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 159.31 53.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 61.23 112.372 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -61.2 -21.08 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 75.21 110.919 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -62.87 -16.95 60.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 74.03 110.912 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -109.08 -33.51 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 54.41 110.917 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.666 ' O ' HD12 ' A' ' 26' ' ' LEU . 56.3 mt -60.94 -60.58 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 54.41 110.944 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.68 77.83 0.21 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 64.45 112.45 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 65.66 13.9 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 52.34 110.915 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 23' ' ' LEU . 1.9 mt -88.16 152.13 22.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.21 110.897 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.3 m -138.35 158.2 44.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.46 . . . . 53.23 111.093 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.974 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -49.28 -43.9 43.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 73.04 110.911 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.22 -39.83 80.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 74.45 110.89 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.9 mmt -62.38 -47.57 83.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 64.43 110.897 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.703 ' HB3' HD11 ' A' ' 10' ' ' ILE . 12.7 mtt -73.81 -32.74 63.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 72.02 110.885 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -58.46 -43.34 88.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.895 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.599 ' OE1' HD22 ' A' ' 97' ' ' LEU . 12.6 pt-20 -79.03 -28.82 43.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 74.4 110.888 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.671 HG23 ' CE2' ' A' ' 101' ' ' PHE . 47.2 mt -71.33 -45.36 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 70.22 111.126 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 31' ' ' MET . 21.3 t -74.03 -28.68 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 61.41 111.092 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -73.71 -44.27 56.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 52.32 110.875 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -68.28 -48.68 64.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 73.13 110.866 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.605 ' HE3' HG22 ' A' ' 34' ' ' ILE . 12.6 ptp -57.79 -39.42 77.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 71.42 110.883 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -68.77 -30.37 68.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 54.24 110.83 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.52 -56.77 10.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 64.24 110.873 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -59.05 -47.51 84.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.881 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.748 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -62.87 -37.49 87.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 73.03 110.935 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.561 ' HA ' HD11 ' A' ' 6' ' ' ILE . 12.2 tpt -60.8 -37.24 81.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 62.54 110.82 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.779 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -70.88 -37.81 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 64.42 110.88 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 46.6 tptt -60.94 -53.72 53.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 75.42 110.885 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.6 p -61.76 -29.13 69.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 64.11 110.88 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -28.76 63.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 74.31 110.881 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 44' ' ' LYS . 2.5 mt -79.55 -32.24 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 71.25 111.156 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.603 ' CD1' HD21 ' A' ' 82' ' ' LEU . 5.9 mt -63.9 -19.61 65.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 74.24 110.921 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -102.28 -34.79 4.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 71.4 112.463 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -53.23 172.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 75.44 110.869 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.1 p -120.91 179.06 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 54.45 111.083 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.44 -20.53 66.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.894 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -70.98 -42.69 69.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 71.14 110.921 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -87.79 -33.45 18.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.04 110.932 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.542 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.3 tt -49.91 125.89 12.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 61.4 110.952 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.31 -173.3 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 63.41 111.194 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.4 tpp85 -50.08 -50.82 46.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 75.44 110.908 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.602 ' O ' HG13 ' A' ' 63' ' ' VAL . 3.8 m -53.6 -33.54 55.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 62.33 110.84 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.561 ' OD2' HG23 ' A' ' 48' ' ' ILE . 3.2 t0 -75.87 -33.78 59.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 60.33 110.862 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.542 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -75.56 -38.35 59.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 64.22 110.884 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' HG2' ' HA ' ' A' ' 59' ' ' SER . 15.8 pt-20 -69.31 -40.32 77.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 60.35 110.83 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.713 HG11 ' HE2' ' A' ' 44' ' ' LYS . 28.3 m -69.75 -39.57 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 72.25 111.163 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.523 HD22 ' OD1' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -65.82 -43.35 88.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 75.33 110.892 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -36.17 83.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 51.41 110.879 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -74.48 -47.19 34.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 64.42 110.869 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.485 ' HE3' HD12 ' A' ' 64' ' ' LEU . 5.6 m0 -53.34 -48.37 68.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 73.02 110.891 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -73.39 -22.6 60.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 74.33 110.84 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -73.11 -43.09 62.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 71.3 110.897 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.78 HD22 ' CG2' ' A' ' 85' ' ' ILE . 3.9 pp -74.73 -31.42 61.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 72.35 110.889 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.695 ' N ' HD12 ' A' ' 70' ' ' LEU . 83.6 tt0 -72.57 -28.58 62.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 75.42 110.888 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -89.63 -25.86 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.89 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.557 ' HE2' HD11 ' A' ' 122' ' ' LEU . 11.7 ptmt -81.8 -15.75 53.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 62.12 110.915 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -72.28 -0.15 11.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 71.05 111.137 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 48.54 49.63 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 61.35 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.1 tptp 179.41 122.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 65.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -78.9 90.18 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.873 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.92 153.45 54.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.583 0.706 . . . . 72.14 110.914 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -49.26 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 65.14 112.327 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -78.07 155.31 30.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 62.02 111.163 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.1 m -121.4 -4.17 9.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 72.15 111.181 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.603 HD21 ' CD1' ' A' ' 49' ' ' LEU . 23.8 mt -108.15 66.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 72.54 110.958 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.03 -174.28 3.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 74.4 110.863 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.748 ' HD2' HD23 ' A' ' 42' ' ' LEU . 2.3 p90 -152.06 164.01 38.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 72.4 110.873 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.78 ' CG2' HD22 ' A' ' 70' ' ' LEU . 43.9 pt -100.5 144.35 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 64.31 111.164 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -23.36 46.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.3 110.904 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.454 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -75.59 -9.02 58.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 72.41 111.145 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -105.67 -17.36 14.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.852 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.484 HG13 ' CE1' ' A' ' 84' ' ' PHE . 22.1 mm -106.47 -31.83 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 53.02 111.14 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.5 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 3.9 ttp85 -49.98 -59.47 6.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 70.21 110.851 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.75 5.39 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.707 2.271 . . . . 71.5 112.355 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -104.49 -34.82 8.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 71.43 110.885 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.11 -116.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 71.43 110.902 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.429 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -140.82 140.83 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 61.22 110.907 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -68.39 -24.23 64.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.917 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -101.01 0.17 37.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 72.24 110.863 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.599 HD22 ' OE1' ' A' ' 33' ' ' GLU . 14.4 tp -63.87 -18.81 64.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 73.44 110.939 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 61.69 163.8 0.11 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 74.34 110.88 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 68.53 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.722 2.281 . . . . 72.13 112.358 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 m -98.23 -25.85 14.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 55.44 110.924 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.671 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -51.56 -50.92 59.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 73.41 110.846 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.27 -22.62 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 71.32 111.079 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -95.15 -22.34 17.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 72.53 110.915 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.419 ' N ' HD11 ' A' ' 26' ' ' LEU . . . -86.96 -18.19 31.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 64.53 111.057 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.645 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 12.6 mm -47.65 -51.49 44.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.636 0.731 . . . . 71.41 111.141 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.645 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.76 -32.14 19.16 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 64.43 112.382 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.2 m -74.34 -18.79 60.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 61.42 110.882 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.86 -38.66 12.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 64.01 110.935 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 7.0 ptm180 -80.09 -31.59 39.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.4 110.861 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -55.86 -21.82 21.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 63.44 110.849 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.604 HG21 HG21 ' A' ' 17' ' ' THR . 12.3 pt -104.78 -8.73 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 71.53 111.144 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 71.09 54.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -112.87 -29.68 7.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 65.33 110.907 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.549 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.7 pp -150.6 -179.17 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.13 111.137 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.549 ' N ' HD12 ' A' ' 114' ' ' ILE . 2.7 mtt180 -139.11 171.1 14.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 42.32 110.925 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.613 ' OE1' HG23 ' A' ' 105' ' ' ILE . 1.8 pm0 -149.03 128.94 13.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.912 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -116.9 105.34 12.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 64.34 110.879 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.66 104.3 3.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 64.51 110.87 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 10.4 m -120.77 82.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 61.32 110.901 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 67.37 -140.1 36.72 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.736 . . . . 74.14 112.496 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 53.7 Cg_endo -69.79 1.5 4.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.724 2.283 . . . . 71.44 112.352 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.557 HD11 ' HE2' ' A' ' 73' ' ' LYS . 1.9 mt -118.12 174.33 6.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.93 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 8.8 m -155.57 123.25 5.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 74.11 111.156 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 9.3 m-85 -94.77 163.11 13.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 63.54 110.881 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -150.59 117.59 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 65.14 110.924 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.81 158.62 61.94 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.684 0.754 . . . . 73.24 110.906 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.4 ' HB3' HG22 ' A' ' 6' ' ' ILE . 53.8 Cg_endo -69.77 98.77 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.687 2.258 . . . . 74.35 112.322 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 48.73 -156.94 1.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 54.13 112.509 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.9 p -127.3 156.16 42.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.37 . . . . 64.44 110.838 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 72.51 110.87 -179.841 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mpp? . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.767 0.318 . . . . 74.5 110.835 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -53.72 144.4 18.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 54.45 110.889 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.85 151.77 38.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 72.34 110.877 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.89 165.77 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 73.43 111.114 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.09 145.39 55.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.856 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.721 HD11 ' HA ' ' A' ' 43' ' ' MET . 1.2 mp -96.84 -36.31 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 75.43 111.101 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.471 HG23 ' HB2' ' A' ' 39' ' ' ASP . 3.4 m -155.77 98.9 2.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 71.21 111.139 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 54.3 Cg_endo -69.71 171.15 14.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 63.24 112.386 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -58.54 155.75 11.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 71.23 110.934 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.816 HD11 ' HB3' ' A' ' 31' ' ' MET . 3.4 pt -117.53 114.74 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 53.3 111.154 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.486 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -88.41 -170.51 2.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 62.41 111.159 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.674 ' HA ' HD11 ' A' ' 28' ' ' LEU . 2.7 t0 -55.39 -23.3 23.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 72.15 110.877 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.64 -30.03 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.884 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.455 ' O ' HG23 ' A' ' 17' ' ' THR . 70.0 mm-40 -104.67 -43.01 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 74.23 110.852 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -57.85 -24.93 59.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.34 110.892 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -12.72 60.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 64.54 110.893 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.563 ' OG1' HD13 ' A' ' 18' ' ' ILE . 18.7 p -78.03 -15.42 58.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 51.51 111.088 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.563 HD13 ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -122.54 94.58 47.56 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.631 0.729 . . . . 61.3 111.11 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 178.77 4.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.721 2.281 . . . . 75.21 112.387 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -53.14 -25.92 15.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 75.21 110.903 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -62.46 -22.84 66.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 74.11 110.956 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -109.28 -42.98 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 75.01 110.923 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.553 HD21 HG13 ' A' ' 18' ' ' ILE . 14.6 mt -68.54 -54.3 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 63.35 110.927 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.53 -55.35 4.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.789 -0.719 . . . . 74.43 112.461 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -155.06 21.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 75.13 110.852 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' A' ' 30' ' ' MET . 0.2 OUTLIER -100.52 165.79 11.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 70.21 110.938 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.417 ' OG1' ' HG2' ' A' ' 30' ' ' MET . 0.0 OUTLIER -139.82 165.85 26.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 62.23 111.126 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.674 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -53.32 -41.0 65.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.942 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.89 -39.88 90.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 75.41 110.856 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.536 ' HB2' HD23 ' A' ' 26' ' ' LEU . 7.9 mmt -66.07 -43.89 86.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 74.41 110.881 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.816 ' HB3' HD11 ' A' ' 10' ' ' ILE . 93.0 mtp -75.82 -30.79 59.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.52 110.904 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -64.08 -40.13 95.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 62.34 110.927 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.597 ' OE2' HD13 ' A' ' 97' ' ' LEU . 12.5 pt-20 -80.97 -30.02 35.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 52.01 110.905 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.601 HG23 ' CE2' ' A' ' 101' ' ' PHE . 41.8 mt -70.29 -48.61 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 74.12 111.147 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.671 HG22 HD11 ' A' ' 108' ' ' LEU . 21.7 t -73.08 -29.44 28.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 72.21 111.172 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -67.97 -52.04 40.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 75.03 110.901 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -64.29 -49.05 73.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.899 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -43.53 63.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 65.51 110.885 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.471 ' HB2' HG23 ' A' ' 7' ' ' VAL . 37.7 t0 -67.3 -30.4 70.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 74.13 110.867 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -62.28 -58.58 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 75.54 110.847 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -45.52 92.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 71.24 110.871 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -65.09 -29.19 70.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 72.13 110.929 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.721 ' HA ' HD11 ' A' ' 6' ' ' ILE . 6.0 tpt -68.04 -39.89 82.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.894 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.626 ' CE ' HG11 ' A' ' 63' ' ' VAL . 9.0 ptmt -71.45 -35.48 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 75.43 110.914 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -64.22 -53.67 45.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 74.24 110.888 179.862 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -62.63 -25.85 68.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 70.24 110.849 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -27.99 61.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 74.55 110.944 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 44' ' ' LYS . 5.9 mt -81.85 -31.95 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.44 111.144 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 6.7 mt -69.67 -11.03 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 70.02 110.92 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.08 33.17 2.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 64.52 112.463 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -119.18 -175.32 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.389 . . . . 72.13 110.846 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 54' ' ' LYS . 8.8 t -127.18 171.09 11.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 72.12 111.12 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.403 ' HA ' ' HB3' ' A' ' 56' ' ' LEU . 3.0 m120 -66.15 -12.9 58.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 63.23 110.891 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.514 ' H ' HG23 ' A' ' 52' ' ' THR . 45.1 mttm -68.15 -54.12 20.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 61.53 110.881 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.595 ' O ' HG23 ' A' ' 57' ' ' THR . 21.9 tp60 -84.34 -30.15 25.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 62.43 110.887 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 56' ' ' LEU . 5.0 tt -47.3 119.68 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.93 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 55' ' ' GLN . 33.7 p -115.93 -172.93 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 75.31 111.143 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -59.01 -45.3 91.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 72.43 110.899 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.465 ' O ' HG13 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -51.32 -31.48 21.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 52.31 110.868 -179.83 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -73.75 -34.2 64.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 62.11 110.835 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -36.3 67.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 72.34 110.819 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 63' ' ' VAL . 0.4 OUTLIER -70.7 -37.99 73.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 72.32 110.912 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.626 HG11 ' CE ' ' A' ' 44' ' ' LYS . 27.9 m -74.57 -39.35 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 74.31 111.09 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -63.42 -42.99 98.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 65.14 110.945 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -36.32 79.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 62.34 110.801 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -73.73 -40.96 63.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 53.1 110.929 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -44.03 97.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 73.13 110.887 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -73.16 -22.36 60.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 73.04 110.865 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -70.73 -44.41 66.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 74.11 110.891 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.908 HD22 HG23 ' A' ' 85' ' ' ILE . 2.9 pp -76.5 -29.14 56.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 35.33 110.934 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.57 ' N ' HD12 ' A' ' 70' ' ' LEU . 11.2 tp10 -73.73 -30.66 62.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 73.53 110.892 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.7 ptm -87.73 -19.3 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 65.4 110.904 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.586 ' HE3' HD11 ' A' ' 122' ' ' LEU . 3.0 pttp -91.52 -13.51 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.4 110.897 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.611 ' HB2' ' HZ ' ' A' ' 124' ' ' PHE . . . -72.81 -1.24 15.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 31.41 111.073 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 48.15 38.92 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 70.45 110.852 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -177.62 136.7 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 75.42 110.903 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -88.6 91.51 8.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.836 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.659 HD21 ' CD2' ' A' ' 124' ' ' PHE . 1.6 mp -51.77 158.15 1.72 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.622 0.725 . . . . 73.21 110.878 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.653 2.235 . . . . 71.24 112.347 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.723 HG21 ' HB3' ' A' ' 126' ' ' TYR . 4.6 t -79.84 164.29 23.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 64.04 111.114 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.8 t -117.81 -18.05 9.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 62.31 111.122 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.742 ' HB3' HD11 ' A' ' 42' ' ' LEU . 12.4 mt -98.29 67.01 1.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 71.04 110.955 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.686 ' HD2' HG23 ' A' ' 80' ' ' THR . 9.0 p90 -132.3 153.95 50.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.885 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.731 ' CD2' HD23 ' A' ' 42' ' ' LEU . 1.4 p90 -130.33 175.61 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.9 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.908 HG23 HD22 ' A' ' 70' ' ' LEU . 43.6 pt -107.27 146.5 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 74.14 111.128 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -26.85 55.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 64.13 110.86 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.558 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -74.63 -6.81 50.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 72.23 111.171 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.42 -3.13 17.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 64.41 110.834 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.8 mm -123.51 -40.06 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 63.42 111.088 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.603 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.3 OUTLIER -53.76 -54.69 43.63 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.612 0.72 . . . . 75.35 110.887 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.0 Cg_endo -69.78 3.69 2.64 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.687 2.258 . . . . 62.11 112.378 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.71 -30.88 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.919 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.6 mt -64.27 -112.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 60.01 110.886 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.449 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 1.1 mt-30 -133.53 140.53 47.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 73.02 110.891 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.41 -23.99 65.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 64.44 110.816 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -100.83 -2.01 33.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 71.11 110.878 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.597 HD13 ' OE2' ' A' ' 33' ' ' GLU . 26.0 tp -65.77 -22.24 66.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 64.02 110.926 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.401 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 24.9 mmt180 61.08 161.39 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 71.5 110.904 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.7 Cg_endo -69.81 70.0 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.665 2.244 . . . . 75.54 112.346 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.5 m -97.21 -17.3 19.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 65.03 110.922 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.601 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -50.88 -50.72 56.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 72.54 110.869 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.03 -24.4 9.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.22 111.114 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -91.98 -24.98 19.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.918 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.88 -15.66 41.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 65.22 111.132 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.649 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 14.1 mm -46.87 -51.42 39.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 64.41 111.116 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.75 -30.29 22.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.237 . . . . 73.12 112.34 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.476 ' HA ' HG21 ' A' ' 18' ' ' ILE . 5.7 m -77.91 -15.62 58.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.43 110.898 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.671 HD11 HG22 ' A' ' 35' ' ' VAL . 3.1 mm? -94.97 -34.76 12.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.54 110.912 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.463 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -83.7 -29.72 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.858 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -56.18 -21.49 23.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 65.42 110.882 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.493 HD12 ' CD ' ' A' ' 113' ' ' ARG . 9.4 pt -101.11 -11.38 8.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 63.11 111.095 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 71.59 58.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 75.24 110.864 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.493 ' CD ' HD12 ' A' ' 111' ' ' ILE . 51.0 mtt180 -121.64 -32.64 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.909 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.59 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.5 pp -144.56 179.08 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 71.21 111.088 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.59 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.2 OUTLIER -148.21 177.34 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.902 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.435 ' CD ' HG23 ' A' ' 105' ' ' ILE . 2.8 pm0 -143.15 138.01 29.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 64.42 110.891 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.61 106.32 15.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.879 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -84.4 101.57 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 73.32 110.866 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.0 m -129.63 87.96 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 63.23 110.87 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 65.73 -148.04 50.83 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.819 -0.705 . . . . 53.4 112.464 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 33.75 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.716 2.277 . . . . 61.43 112.354 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.586 HD11 ' HE3' ' A' ' 73' ' ' LYS . 14.9 mt -138.32 162.14 35.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.89 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.89 104.59 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 72.24 111.136 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.659 ' CD2' HD21 ' A' ' 78' ' ' LEU . 54.0 m-85 -95.48 172.22 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 72.34 110.879 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -151.92 124.44 8.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.949 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.723 ' HB3' HG21 ' A' ' 80' ' ' THR . 1.0 OUTLIER -120.9 147.67 46.77 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.66 0.743 . . . . 64.32 110.916 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 88.46 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 75.54 112.342 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 45.42 29.77 2.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 52.3 112.449 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.78 -178.13 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 62.04 110.869 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 63.51 110.894 -179.871 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.541 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.793 0.33 . . . . 74.2 111.139 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -55.31 160.21 2.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.81 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.51 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -116.89 -25.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 41.42 111.111 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.678 HG23 ' HB2' ' A' ' 39' ' ' ASP . 18.4 m -152.54 106.98 2.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.571 0.701 . . . . 71.05 111.187 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -175.01 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 2.276 . . . . 72.31 112.323 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -87.25 161.57 17.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 75.42 110.906 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.814 HD11 ' HB3' ' A' ' 31' ' ' MET . 7.8 pt -115.01 138.64 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 72.21 111.07 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.49 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -113.4 -168.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.494 . . . . 74.41 111.101 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.674 ' HA ' HD11 ' A' ' 28' ' ' LEU . 10.8 t0 -57.43 -21.94 39.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 71.02 110.909 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -71.51 -30.07 65.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 71.41 110.89 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.469 ' HG3' HG22 ' A' ' 10' ' ' ILE . 28.5 mm-40 -95.78 -39.04 10.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 75.44 110.882 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CE1' HD13 ' A' ' 23' ' ' LEU . 6.5 t80 -64.19 -40.36 95.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 75.21 110.879 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -58.17 -20.19 38.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 62.24 110.917 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 p -77.41 -11.42 59.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 61.15 111.147 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.714 HD13 ' SG ' ' A' ' 107' ' ' CYS . 2.6 mt -114.63 109.92 47.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.621 0.724 . . . . 62.13 111.121 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 18' ' ' ILE . 54.2 Cg_endo -69.77 162.34 42.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.279 . . . . 64.43 112.354 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -58.04 -20.03 35.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 72.42 110.886 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -61.38 -19.45 61.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 72.35 110.903 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -113.05 -34.11 5.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.926 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.651 HD11 ' O ' ' A' ' 18' ' ' ILE . 5.0 mt -75.44 -52.0 11.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.911 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.57 -89.27 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 72.32 112.496 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -114.93 22.71 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 74.45 110.866 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.48 HD12 ' HB3' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -98.16 176.03 5.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.882 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 26' ' ' LEU . 1.1 p -158.52 162.23 37.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 61.33 111.143 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.674 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -50.63 -42.77 56.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 73.12 110.919 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.27 -41.71 89.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 72.51 110.891 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.0 mtt -63.21 -42.31 99.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.879 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.814 ' HB3' HD11 ' A' ' 10' ' ' ILE . 1.6 mtp -74.51 -37.44 63.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 73.41 110.893 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -57.07 -42.4 80.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.89 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.595 ' CD ' HD13 ' A' ' 97' ' ' LEU . 9.6 pt-20 -78.4 -27.19 46.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 63.13 110.927 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.7 mt -72.73 -46.16 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 63.51 111.183 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.969 HG22 HD11 ' A' ' 108' ' ' LEU . 4.8 t -73.9 -27.58 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 71.31 111.088 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -72.53 -52.96 13.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 61.3 110.853 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.513 ' HB2' HD23 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -62.27 -43.38 98.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.822 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 78.8 mtp -59.22 -49.66 77.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 71.03 110.865 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.678 ' HB2' HG23 ' A' ' 7' ' ' VAL . 51.7 t0 -59.22 -29.9 67.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.43 . . . . 63.25 110.895 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -66.53 -54.95 18.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 53.32 110.864 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -39.44 91.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 71.44 110.865 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.701 HD23 ' CE2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -72.75 -35.02 67.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.915 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.51 ' N ' HD11 ' A' ' 6' ' ' ILE . 10.6 tpt -65.0 -41.31 95.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 64.4 110.871 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.753 ' O ' HD12 ' A' ' 48' ' ' ILE . 5.1 ptpp? -70.66 -34.02 71.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 75.43 110.914 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -62.55 -53.63 51.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 64.53 110.918 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.403 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 1.5 t -64.7 -24.89 67.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.84 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -29.46 63.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 73.4 110.925 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.753 HD12 ' O ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -81.65 -33.22 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 51.34 111.09 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.428 ' N ' HD23 ' A' ' 49' ' ' LEU . 6.1 mt -60.86 -18.78 58.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 61.15 110.891 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.06 -31.28 3.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 54.15 112.516 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.05 -174.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 54.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 p -139.96 -172.72 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 64.42 111.139 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -64.35 -15.55 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.882 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -70.52 -53.41 16.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.896 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.99 -28.59 29.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 73.44 110.936 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 56' ' ' LEU . 2.9 tt -50.77 117.85 2.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.909 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 t -119.36 -174.12 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 63.02 111.11 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -50.76 -50.35 55.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 65.54 110.904 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.615 ' O ' HG13 ' A' ' 63' ' ' VAL . 4.1 m -60.5 -25.98 66.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 52.23 110.857 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -74.87 -33.76 62.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 73.44 110.877 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -38.94 57.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 73.41 110.84 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -68.34 -38.14 81.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 52.34 110.887 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.615 HG13 ' O ' ' A' ' 59' ' ' SER . 27.5 m -72.08 -37.98 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 71.54 111.111 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.46 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -65.84 -39.13 90.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.949 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -41.14 82.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.89 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -73.62 -44.7 56.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 60.32 110.824 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 31.0 m0 -59.5 -43.61 93.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 71.53 110.916 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -22.97 60.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 71.42 110.833 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -69.43 -44.51 71.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 74.14 110.846 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.962 HD22 HG23 ' A' ' 85' ' ' ILE . 3.0 pp -76.0 -32.64 59.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 72.23 110.876 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.61 ' N ' HD12 ' A' ' 70' ' ' LEU . 17.8 mt-10 -68.44 -33.08 73.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.859 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.6 ptm -87.65 -18.44 29.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 62.03 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.47 -18.92 36.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 71.34 110.894 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.633 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -76.21 2.76 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 61.41 111.057 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? 69.8 57.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 72.14 110.887 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt 40.23 40.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.87 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.507 ' CB ' HD12 ' A' ' 78' ' ' LEU . 23.7 mmt180 -102.49 -174.16 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 71.31 110.885 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.695 HD21 ' CD2' ' A' ' 124' ' ' PHE . 4.7 mp 63.93 114.77 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.709 . . . . 42.15 110.901 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -19.24 36.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.732 2.288 . . . . 63.01 112.356 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -92.44 172.08 8.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 72.55 111.103 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 81' ' ' THR . 4.6 m -138.61 9.61 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.22 111.153 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.495 ' HB3' HD11 ' A' ' 42' ' ' LEU . 14.6 mt -117.93 65.46 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 70.51 110.919 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.401 ' CZ ' HD22 ' A' ' 78' ' ' LEU . 3.5 p90 -137.21 172.73 12.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.907 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.701 ' CE2' HD23 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -143.97 171.86 13.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 60.13 110.894 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.962 HG23 HD22 ' A' ' 70' ' ' LEU . 43.1 pt -98.98 143.75 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 65.52 111.112 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.71 -25.29 53.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 72.2 110.886 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.466 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -72.6 -9.82 59.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 64.11 111.195 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.69 -26.19 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 71.42 110.88 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.1 mm -96.11 -36.18 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 61.13 111.15 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.536 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 10.3 tpp85 -50.68 -57.98 11.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 72.04 110.906 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.9 Cg_endo -69.73 5.01 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 63.24 112.331 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.15 -22.48 12.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 73.01 110.895 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' A' ' 37' ' ' LYS . 93.3 mt -71.51 -113.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 72.53 110.872 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.429 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 1.8 mt-30 -136.83 141.46 42.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 75.11 110.88 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -68.29 -22.94 64.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 64.12 110.857 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -101.12 -2.58 31.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.868 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.595 HD13 ' CD ' ' A' ' 33' ' ' GLU . 17.1 tp -64.69 -21.84 66.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 73.11 110.93 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 62.21 163.39 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.702 . . . . 74.31 110.873 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 68.26 1.7 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.731 2.287 . . . . 74.34 112.361 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.18 -15.66 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 72.02 110.825 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -50.95 -52.44 42.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 70.04 110.894 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.8 -22.32 13.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 63.01 111.102 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.48 ' HB3' HD12 ' A' ' 26' ' ' LEU . 3.2 mptp? -97.55 -21.81 16.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 71.3 110.907 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.456 ' HB2' HD21 ' A' ' 26' ' ' LEU . . . -84.66 -17.43 38.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 52.51 111.112 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.637 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 14.6 mm -46.63 -52.16 32.64 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.605 0.717 . . . . 72.53 111.083 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.637 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.8 Cg_endo -69.75 -22.0 32.76 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.678 2.252 . . . . 70.41 112.333 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.714 ' SG ' HD13 ' A' ' 18' ' ' ILE . 7.0 t -83.51 -27.4 29.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 74.04 110.879 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.969 HD11 HG22 ' A' ' 35' ' ' VAL . 2.5 mm? -84.29 -34.08 23.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.893 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.474 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 8.0 ptm180 -79.71 -32.73 41.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.44 110.897 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -55.41 -21.19 14.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.862 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 14.5 pt -106.49 -10.84 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 53.3 111.134 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 70.38 45.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.869 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -100.09 -29.37 12.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 61.33 110.894 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.562 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.9 pp -149.85 -179.65 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 72.31 111.136 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.562 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.3 OUTLIER -140.48 169.77 17.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 74.21 110.852 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.462 ' HG2' HG23 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -143.04 126.92 17.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 73.43 110.92 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.15 111.58 21.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.927 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.14 100.58 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 73.33 110.868 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 28.4 m -121.71 89.4 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.837 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.463 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 62.93 -148.76 49.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 75.33 112.501 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 35.57 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 75.32 112.344 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.463 ' H ' ' C ' ' A' ' 120' ' ' GLY . 32.9 mt -143.95 166.64 24.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 73.12 110.886 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.51 108.73 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 61.43 111.107 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.695 ' CD2' HD21 ' A' ' 78' ' ' LEU . 52.3 m-85 -96.94 163.15 13.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 65.51 110.879 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -148.88 123.55 9.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.133 -0.485 . . . . 70.25 110.955 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -122.47 160.54 47.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.681 0.753 . . . . 61.05 110.918 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 96.69 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 54.3 112.362 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.692 -0.766 . . . . 70.41 112.51 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.814 0.34 . . . . 74.32 111.152 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.5 147.17 42.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.04 110.839 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.769 HD13 ' HB3' ' A' ' 42' ' ' LEU . 1.8 mp -99.62 -33.38 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 61.42 111.145 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.524 HG11 HG22 ' A' ' 114' ' ' ILE . 5.6 m -154.2 100.06 2.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 74.45 111.164 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.6 Cg_endo -69.8 164.26 35.22 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.642 2.228 . . . . 74.1 112.346 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -61.96 169.21 2.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 62.43 110.89 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.875 HD11 ' HB3' ' A' ' 31' ' ' MET . 12.3 pt -120.6 120.44 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 71.05 111.156 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.16 -169.25 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 74.53 111.19 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.844 ' HA ' HD11 ' A' ' 28' ' ' LEU . 7.3 t70 -63.52 -19.54 64.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 71.11 110.864 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -80.68 -29.33 36.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 74.1 110.856 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.411 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 12.6 mm-40 -95.18 -34.4 12.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 71.33 110.879 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -71.57 -33.56 69.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 64.14 110.876 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -66.42 -11.63 52.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.497 . . . . 72.21 110.913 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 p -76.66 -7.68 55.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 55.33 111.129 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.7 mp -110.96 120.46 43.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.689 0.756 . . . . 65.12 111.129 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 154.74 67.49 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.673 2.248 . . . . 51.15 112.345 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -57.03 -28.03 62.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 74.25 110.887 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -62.75 -17.85 61.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 70.42 110.91 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -108.31 -33.48 7.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 64.13 110.91 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.664 ' O ' HD12 ' A' ' 26' ' ' LEU . 80.2 mt -60.95 -60.31 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 53.44 110.924 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.03 74.16 0.51 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.766 -0.731 . . . . 72.15 112.474 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 66.04 13.24 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 75.12 110.888 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 23' ' ' LEU . 2.5 mt -84.25 160.95 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.872 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 m -144.01 158.85 43.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 72.05 111.123 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.844 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -50.71 -42.66 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 71.14 110.938 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.25 -38.18 79.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 74.35 110.918 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.0 mmt -62.81 -48.05 80.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 72.5 110.923 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.875 ' HB3' HD11 ' A' ' 10' ' ' ILE . 6.6 mtt -75.09 -31.83 61.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 72.13 110.866 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -58.84 -42.94 90.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.864 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.631 ' OE2' HD13 ' A' ' 97' ' ' LEU . 8.0 pt-20 -80.07 -31.45 39.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 61.12 110.85 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.401 ' HA ' HD21 ' A' ' 93' ' ' LEU . 44.3 mt -68.06 -46.74 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 75.24 111.133 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.751 HG22 HD11 ' A' ' 108' ' ' LEU . 14.0 t -75.33 -26.94 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.162 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -73.11 -52.17 15.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 43.13 110.843 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.559 ' HB2' HD23 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -66.32 -42.11 88.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.902 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.9 mtm -58.96 -53.47 58.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 53.52 110.881 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -32.01 72.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 74.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -59.94 -55.18 37.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 64.3 110.848 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.401 ' HD2' HD13 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -60.06 -49.65 76.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 74.51 110.858 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.776 HD23 ' CD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -62.74 -33.08 74.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.901 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.653 ' HA ' HD11 ' A' ' 6' ' ' ILE . 54.6 ttp -64.36 -38.48 91.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 74.34 110.89 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.637 ' O ' HD12 ' A' ' 48' ' ' ILE . 3.4 ptmt -72.0 -36.87 69.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 55.55 110.908 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.444 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 31.5 mmtp -61.42 -53.07 61.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 71.13 110.912 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -64.99 -25.51 67.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.23 110.855 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -29.03 64.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 72.51 110.862 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.651 HG21 HD13 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -84.66 -31.88 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 75.3 111.173 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 5.0 mt -61.43 -17.95 56.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 75.45 110.911 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -106.13 -36.75 2.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.695 -0.764 . . . . 71.11 112.498 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.85 171.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 75.25 110.856 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 54' ' ' LYS . 15.2 t -117.17 173.18 6.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 75.23 111.145 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -58.14 -22.36 50.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 63.34 110.933 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.654 ' H ' HG23 ' A' ' 52' ' ' THR . 8.5 mmmm -69.85 -45.99 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 71.01 110.856 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.694 ' O ' HG23 ' A' ' 57' ' ' THR . 12.9 mm-40 -84.28 -26.57 28.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 73.14 110.933 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 56' ' ' LEU . 1.7 tt -49.05 123.79 7.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 73.24 110.888 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 55' ' ' GLN . 43.7 p -127.06 -172.44 2.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 64.22 111.19 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.8 tpp85 -50.13 -46.44 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 62.1 110.861 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.6 ' O ' HG13 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -61.84 -29.23 70.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 55.24 110.897 -179.803 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.536 ' OD1' HD22 ' A' ' 64' ' ' LEU . 6.0 t0 -75.9 -32.93 59.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 52.24 110.919 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.504 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -75.1 -38.86 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 75.05 110.853 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.4 -42.51 75.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 64.33 110.875 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.632 HG21 HD13 ' A' ' 48' ' ' ILE . 29.1 m -66.57 -40.33 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 73.54 111.144 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.651 HD13 HG21 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -63.75 -44.79 92.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.916 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -42.17 97.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 73.35 110.836 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.445 ' OD1' HD11 ' A' ' 70' ' ' LEU . 18.6 t-20 -70.23 -46.28 64.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.898 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.71 ' HA ' HD12 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -49.84 -48.7 50.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 73.41 110.963 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -22.42 61.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 73.24 110.914 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -38.53 63.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 72.33 110.884 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.742 HD22 HG23 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -75.57 -42.69 51.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 75.43 110.93 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.08 -29.01 68.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 53.41 110.928 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.0 ptm -87.98 -17.33 31.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 43.54 110.897 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -91.23 -12.34 35.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 62.44 110.915 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.675 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -75.58 0.03 18.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 45.2 111.134 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 48.23 36.69 7.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 65.13 110.901 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -178.4 165.65 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.914 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -104.98 91.11 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 64.25 110.885 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.434 HD22 ' CE2' ' A' ' 83' ' ' PHE . 7.4 mp -63.31 160.59 39.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 43.54 110.954 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -36.64 10.38 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.711 2.274 . . . . 74.2 112.301 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.6 m -122.99 99.53 6.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 74.43 111.15 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 m -65.27 -12.57 53.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 64.45 111.186 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.693 ' HB3' HD11 ' A' ' 42' ' ' LEU . 17.6 mt -75.38 71.84 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.901 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.434 ' CE2' HD22 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -141.01 -177.73 5.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 72.23 110.892 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.776 ' CD2' HD23 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -151.32 168.47 24.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.904 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.742 HG23 HD22 ' A' ' 70' ' ' LEU . 33.8 pt -99.16 153.12 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 65.12 111.15 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -56.19 -30.3 62.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 55.41 110.851 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -8.94 58.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 71.2 111.139 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -98.93 -6.93 27.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 63.42 110.871 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.401 HD13 ' HD2' ' A' ' 41' ' ' PHE . 12.4 mm -122.59 -37.36 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.11 111.165 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.528 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 13.0 ttt180 -49.38 -58.62 8.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 74.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.75 9.32 0.61 Allowed 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.689 2.259 . . . . 70.1 112.353 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -112.89 -23.26 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 51.43 110.902 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.559 HD23 ' HB2' ' A' ' 37' ' ' LYS . 36.0 mt -73.8 -118.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 54.15 110.903 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.476 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.7 tt0 -134.81 143.42 47.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 71.53 110.952 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.09 -39.32 93.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.872 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -90.42 21.27 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 51.43 110.909 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.631 HD13 ' OE2' ' A' ' 33' ' ' GLU . 9.6 tp -80.67 -22.31 40.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.935 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 64.35 164.11 0.12 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 64.24 110.854 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 69.4 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.649 2.233 . . . . 62.32 112.338 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.72 -23.97 15.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.9 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.615 ' CE1' HD11 ' A' ' 105' ' ' ILE . 15.8 t80 -51.63 -50.48 60.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 74.11 110.878 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.0 -19.94 21.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 44.03 111.073 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.38 -20.13 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.901 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.92 -19.98 33.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 74.51 111.11 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.639 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 15.5 mm -46.32 -52.26 29.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.668 0.747 . . . . 53.4 111.147 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.4 Cg_endo -69.78 -30.75 21.67 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.664 2.243 . . . . 70.33 112.387 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 4.7 m -77.7 -13.9 59.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 72.54 110.867 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.751 HD11 HG22 ' A' ' 35' ' ' VAL . 3.3 mm? -95.15 -34.68 12.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 75.32 110.91 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.44 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 15.0 ptm180 -84.14 -30.63 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 70.13 110.852 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -56.57 -20.8 22.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 62.14 110.843 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.695 HD12 ' HD2' ' A' ' 113' ' ' ARG . 13.1 pt -101.16 -11.39 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 63.11 111.09 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.51 57.59 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 74.1 110.882 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.695 ' HD2' HD12 ' A' ' 111' ' ' ILE . 13.0 mtp85 -121.29 -31.57 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 72.34 110.851 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.582 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.5 pp -144.57 -179.27 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 63.22 111.117 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.582 ' N ' HD12 ' A' ' 114' ' ' ILE . 18.5 mtp85 -146.18 175.35 10.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 73.14 110.863 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.48 130.38 18.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 62.11 110.856 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.48 106.74 14.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.895 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -81.95 102.19 10.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 73.54 110.864 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 6.5 m -125.74 93.86 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.892 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.43 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 60.52 -149.27 43.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 35.13 112.475 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 39.34 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 74.3 112.35 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.43 ' H ' ' C ' ' A' ' 120' ' ' GLY . 77.7 mt -147.71 166.89 26.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 43.35 110.876 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m -153.25 111.4 3.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 44.53 111.107 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.675 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 32.0 m-85 -97.92 168.13 10.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 73.51 110.908 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.406 ' H ' ' HB2' ' A' ' 83' ' ' PHE . 37.3 m-85 -151.37 118.8 6.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.96 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -123.95 160.27 52.6 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.653 0.739 . . . . 71.34 110.939 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . 0.48 ' HB3' HG22 ' A' ' 6' ' ' ILE . 53.4 Cg_endo -69.82 93.64 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 2.262 . . . . 61.14 112.348 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 63.13 112.462 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.52 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.851 0.358 . . . . 73.21 111.152 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.08 162.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 65.13 110.895 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.495 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -116.85 -21.19 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 54.04 111.113 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.622 HG23 ' HB2' ' A' ' 39' ' ' ASP . 10.5 m -153.48 98.52 2.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 71.11 111.146 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.7 Cg_endo -69.77 172.34 12.82 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.636 2.224 . . . . 72.11 112.381 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -74.2 164.8 26.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.889 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.869 HD11 ' HB3' ' A' ' 31' ' ' MET . 11.8 pt -116.87 119.46 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 71.23 111.11 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.04 -166.58 1.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 73.05 111.144 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.758 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -63.33 -20.26 65.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 73.53 110.849 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -79.88 -29.93 40.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.844 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -95.78 -32.63 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.903 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.419 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 13.3 t80 -72.14 -37.19 69.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.22 110.858 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -10.63 53.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 75.43 110.929 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 p -76.99 -9.62 58.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 74.5 111.13 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.448 ' HB ' HD21 ' A' ' 23' ' ' LEU . 2.7 mp -106.67 129.62 24.15 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 61.31 111.148 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.58 63.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 74.22 112.314 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -56.03 -24.1 37.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.864 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -63.05 -20.75 65.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 75.23 110.896 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -101.92 -38.49 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 71.41 110.906 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.448 HD21 ' HB ' ' A' ' 18' ' ' ILE . 10.1 mt -72.15 -53.52 12.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 55.43 110.935 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.27 -91.84 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 22.24 112.473 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -110.8 25.48 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 75.15 110.89 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.65 166.85 11.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.928 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 28' ' ' LEU . 4.0 m -147.15 160.32 42.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 45.24 111.167 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.758 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -51.92 -42.32 62.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 72.24 110.925 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.05 -38.04 84.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.861 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.415 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -62.43 -47.56 83.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 71.43 110.898 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.869 ' HB3' HD11 ' A' ' 10' ' ' ILE . 43.3 mtp -75.95 -32.29 59.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.854 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -58.51 -42.12 86.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.859 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.585 ' OE1' HD22 ' A' ' 97' ' ' LEU . 7.8 pt-20 -81.07 -35.0 32.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 71.12 110.937 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.705 HG23 ' CE2' ' A' ' 101' ' ' PHE . 38.8 mt -64.56 -46.11 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 61.12 111.165 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 31' ' ' MET . 19.9 t -75.45 -31.53 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.15 111.107 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 t -70.03 -48.61 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 41.32 110.838 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.57 -54.59 25.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 70.43 110.884 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.451 ' HE1' HG21 ' A' ' 114' ' ' ILE . 20.9 ptm -51.39 -39.11 56.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 62.33 110.904 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.622 ' HB2' HG23 ' A' ' 7' ' ' VAL . 49.2 t0 -68.62 -30.78 69.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 73.52 110.839 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -63.62 -49.51 73.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 64.3 110.845 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.91 -49.62 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.891 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.696 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -63.17 -33.83 76.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 74.54 110.906 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.495 ' N ' HD11 ' A' ' 6' ' ' ILE . 50.8 ttp -64.6 -40.23 95.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.889 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.556 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -69.1 -33.39 73.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 61.35 110.908 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 28.5 tptt -65.04 -53.67 42.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 72.4 110.889 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.7 p -62.45 -25.97 68.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 65.34 110.847 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -29.77 62.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 64.45 110.909 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.556 HD12 ' O ' ' A' ' 44' ' ' LYS . 6.3 mt -79.49 -32.06 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 74.3 111.103 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.826 HD11 HD21 ' A' ' 82' ' ' LEU . 5.8 mt -62.77 -19.92 64.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 63.31 110.943 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -109.36 -28.32 4.39 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 60.32 112.508 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -63.48 -175.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.367 . . . . 74.2 110.916 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.553 HG21 ' HE3' ' A' ' 54' ' ' LYS . 15.1 t -132.51 171.81 13.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 74.42 111.141 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -53.95 -30.33 46.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.904 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.553 ' HE3' HG21 ' A' ' 52' ' ' THR . 48.7 mtmt -62.39 -41.73 98.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 75.25 110.904 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 57' ' ' THR . 7.5 tp-100 -84.02 -35.52 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 65.34 110.964 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.539 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.1 tt -49.28 129.33 18.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 55' ' ' GLN . 30.4 p -127.28 -173.4 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 71.03 111.148 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -52.13 -49.96 62.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 72.13 110.877 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.592 ' O ' HG13 ' A' ' 63' ' ' VAL . 3.8 m -58.31 -30.23 66.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 64.24 110.886 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -74.43 -33.4 62.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 75.51 110.895 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.539 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -75.85 -38.19 58.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 73.24 110.852 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.92 -36.87 78.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 75.13 110.854 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 59' ' ' SER . 30.2 m -73.96 -39.85 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 73.11 111.119 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.5 HD12 ' HE3' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -62.48 -45.23 93.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 64.15 110.912 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.2 -43.71 85.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.909 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -64.05 -46.78 82.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 73.23 110.888 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.756 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.4 m0 -55.19 -51.31 66.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 73.2 110.893 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -22.94 65.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 71.04 110.884 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.32 -34.01 63.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.895 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.803 HD22 ' CG2' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -75.39 -43.9 47.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 52.31 110.885 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -67.17 -28.65 68.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 63.31 110.865 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -88.35 -16.24 33.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.906 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm -90.63 -14.38 32.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 73.22 110.913 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.756 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -74.28 1.02 12.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 64.03 111.082 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 49.1 35.5 7.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.862 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -174.06 161.27 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 73.4 110.9 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -102.99 90.85 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.897 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 mp -54.08 162.48 1.48 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.625 0.726 . . . . 64.52 110.862 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -47.55 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.718 2.279 . . . . 53.4 112.353 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.699 HG21 ' CG ' ' A' ' 126' ' ' TYR . 6.2 t -91.21 159.05 16.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 73.55 111.11 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 81' ' ' THR . 3.5 m -117.72 11.92 13.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 65.13 111.178 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.826 HD21 HD11 ' A' ' 49' ' ' LEU . 79.6 mt -123.22 67.59 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 70.35 110.953 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.558 ' HD2' HG23 ' A' ' 80' ' ' THR . 5.3 p90 -131.73 169.0 16.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 65.33 110.916 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.696 ' HD2' HD23 ' A' ' 42' ' ' LEU . 5.5 p90 -144.04 175.07 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.872 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.803 ' CG2' HD22 ' A' ' 70' ' ' LEU . 43.0 pt -106.05 148.84 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 74.41 111.113 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.92 -29.22 59.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 72.31 110.894 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.487 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -75.71 -6.13 49.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 70.14 111.12 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.463 ' O ' HD13 ' A' ' 89' ' ' ILE . 0.6 OUTLIER -96.2 -10.47 28.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 63.15 110.851 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.467 HG13 ' CE1' ' A' ' 84' ' ' PHE . 8.8 mm -123.79 -35.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 63.43 111.116 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.536 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 2.1 ttp180 -49.02 -58.16 9.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 72.33 110.886 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.3 Cg_endo -69.81 4.47 2.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.647 2.231 . . . . 73.14 112.345 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.26 -32.84 7.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 62.13 110.843 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 34' ' ' ILE . 78.5 mt -63.56 -108.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.274 -0.421 . . . . 72.35 110.911 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.505 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.2 tt0 -140.72 143.43 35.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 42.04 110.898 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -67.32 -39.61 85.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.91 18.35 4.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 73.44 110.867 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.585 HD22 ' OE1' ' A' ' 33' ' ' GLU . 13.0 tp -80.29 -23.67 40.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 73.51 110.935 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.4 mtp85 65.24 164.54 0.12 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 74.5 110.87 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 73.14 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 75.31 112.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.4 p -98.67 -30.39 12.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.881 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.705 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -50.97 -51.4 52.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.857 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.16 -22.51 11.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 74.12 111.12 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -98.64 -19.35 17.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 52.04 110.876 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.4 -15.68 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 75.34 111.11 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.631 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 15.9 mm -46.08 -52.33 27.66 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 74.24 111.154 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.81 -31.86 19.5 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.667 2.245 . . . . 71.52 112.314 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.1 m -74.94 -16.99 60.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 64.01 110.924 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.61 HD11 HG22 ' A' ' 35' ' ' VAL . 3.5 mm? -92.74 -37.78 12.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.923 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.441 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 10.2 ptm180 -80.87 -30.47 35.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 72.21 110.869 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -56.28 -22.15 28.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.873 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 15.3 pt -103.17 -7.77 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 55.22 111.16 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 71.12 56.66 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 74.14 110.88 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -117.59 -31.35 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 73.51 110.896 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.565 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.5 pp -146.94 -179.47 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 72.44 111.118 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.565 ' N ' HD12 ' A' ' 114' ' ' ILE . 7.5 mtm180 -143.86 173.56 11.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 71.53 110.879 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.566 ' OE1' HG23 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -150.43 126.37 10.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.87 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -113.49 105.94 13.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 72.53 110.87 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.83 101.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 72.4 110.896 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 13.7 m -112.9 81.59 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 71.22 110.909 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.414 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 68.59 -141.24 36.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.784 -0.722 . . . . 21.12 112.456 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.414 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 53.9 Cg_endo -69.76 5.27 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.69 2.26 . . . . 64.42 112.38 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.1 mt -120.88 176.37 5.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 63.24 110.912 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 5.4 m -158.7 120.8 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 72.02 111.143 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.756 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 49.6 m-85 -99.26 172.62 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 62.04 110.888 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -152.41 124.62 8.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.923 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.699 ' CG ' HG21 ' A' ' 80' ' ' THR . 0.5 OUTLIER -126.58 156.26 73.47 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.658 0.742 . . . . 72.52 110.898 -179.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 93.48 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.716 2.278 . . . . 72.14 112.344 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.728 . . . . 63.51 112.448 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.535 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.813 0.339 . . . . 63.11 111.092 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.24 146.63 27.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 74.33 110.887 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.697 HD11 ' HA ' ' A' ' 43' ' ' MET . 1.7 mp -96.93 -34.28 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 64.44 111.119 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.464 HG23 ' HB2' ' A' ' 39' ' ' ASP . 3.9 m -154.75 100.03 2.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.631 0.729 . . . . 60.15 111.091 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.3 Cg_endo -69.82 166.17 28.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.656 2.237 . . . . 71.01 112.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -59.38 162.8 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 75.35 110.922 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.782 HD11 ' HB3' ' A' ' 31' ' ' MET . 31.2 pt -117.6 135.78 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.32 111.075 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.434 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -101.27 -174.54 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.44 111.198 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.751 ' HA ' HD11 ' A' ' 28' ' ' LEU . 6.7 t0 -58.11 -21.88 48.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 71.13 110.887 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.33 -28.86 67.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.32 110.856 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.537 ' O ' HG22 ' A' ' 17' ' ' THR . 8.6 mm-40 -105.04 -43.58 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 44.02 110.891 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -56.65 -33.98 66.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.908 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -8.87 57.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 74.44 110.877 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -77.22 -7.18 55.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 73.23 111.159 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.459 HG23 ' HD2' ' A' ' 19' ' ' PRO . 3.3 mp -108.05 133.41 20.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.645 0.736 . . . . 54.53 111.15 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.459 ' HD2' HG23 ' A' ' 18' ' ' ILE . 53.9 Cg_endo -69.73 145.54 57.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 71.14 112.359 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.6 -24.03 30.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 71.24 110.901 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -62.52 -20.76 64.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.902 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -102.0 -37.12 8.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 75.41 110.894 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.443 HD21 ' HB ' ' A' ' 18' ' ' ILE . 11.0 mt -71.87 -53.82 12.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 74.03 110.947 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.38 -91.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 71.25 112.474 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.59 25.74 11.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.375 . . . . 72.11 110.891 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -99.4 164.76 11.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 63.4 110.926 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -148.14 161.95 40.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 72.41 111.149 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.751 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -50.79 -42.55 58.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 53.3 110.928 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -40.02 83.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 62.52 110.922 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.402 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -62.39 -46.11 90.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 73.44 110.934 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.782 ' HB3' HD11 ' A' ' 10' ' ' ILE . 6.4 mtt -74.47 -33.3 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 73.41 110.928 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -58.3 -42.59 86.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 61.41 110.902 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.558 ' OE1' HD22 ' A' ' 97' ' ' LEU . 6.8 pt-20 -81.27 -33.49 32.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.912 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.583 HG23 ' CE2' ' A' ' 101' ' ' PHE . 36.6 mt -66.13 -45.83 89.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 74.35 111.185 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 31' ' ' MET . 19.0 t -75.27 -33.6 28.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 64.3 111.119 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -69.69 -45.86 67.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 54.15 110.854 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -66.52 -55.24 16.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 63.33 110.935 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 24.6 ptm -52.09 -39.91 60.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 75.35 110.852 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' HB2' HG23 ' A' ' 7' ' ' VAL . 31.3 t0 -70.02 -29.13 66.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 73.41 110.865 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -64.96 -55.3 19.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 55.21 110.923 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -47.53 84.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 73.15 110.832 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.812 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -63.65 -30.02 71.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 70.31 110.907 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.697 ' HA ' HD11 ' A' ' 6' ' ' ILE . 12.8 tpt -67.64 -38.92 84.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.861 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -71.18 -37.18 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 62.01 110.896 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 4.2 tttt -63.24 -53.09 58.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 71.2 110.878 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 t -62.38 -26.57 68.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.854 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -28.79 61.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 52.25 110.914 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 44' ' ' LYS . 7.3 mt -81.27 -31.16 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 74.42 111.139 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.437 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.9 mt -63.14 -21.5 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 74.01 110.929 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -105.47 -35.14 3.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 61.12 112.504 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 tptt -55.82 176.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.885 0.374 . . . . 62.13 110.873 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 p -115.61 170.37 8.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 72.45 111.184 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -62.25 -22.4 65.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 74.12 110.862 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -72.11 -37.2 69.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 71.23 110.845 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -90.48 -31.42 16.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.913 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.743 HD21 ' HD2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -51.79 130.84 29.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 72.21 110.937 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.6 p -115.53 -174.09 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 73.34 111.146 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.2 ttm-85 -60.44 -44.12 96.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 75.44 110.914 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.556 ' O ' HG13 ' A' ' 63' ' ' VAL . 4.7 m -55.45 -35.88 65.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.839 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -73.9 -32.07 63.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 73.41 110.899 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.743 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -74.99 -44.81 46.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.43 110.848 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.43 -44.04 95.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.02 110.902 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 59' ' ' SER . 32.6 m -65.42 -42.62 93.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 63.31 111.123 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.462 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.6 OUTLIER -57.19 -45.07 84.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 63.22 110.921 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.98 -31.23 72.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 70.52 110.836 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -74.43 -41.46 60.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.51 110.878 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.626 ' HE3' HD21 ' A' ' 70' ' ' LEU . 12.9 m95 -62.48 -40.18 95.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 75.3 110.923 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -24.32 56.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.25 110.891 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -72.04 -43.28 65.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.866 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.768 HD22 HG23 ' A' ' 85' ' ' ILE . 1.8 pp -75.27 -36.47 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 75.33 110.923 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.433 ' N ' HD12 ' A' ' 70' ' ' LEU . 72.1 tt0 -66.86 -33.98 76.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 63.02 110.88 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.3 ptm -88.63 -14.48 37.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 72.4 110.882 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.432 ' HB3' HD11 ' A' ' 122' ' ' LEU . 1.3 mttt -84.34 -21.54 30.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 71.14 110.883 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.533 ' HB1' ' HB3' ' A' ' 119' ' ' CYS . . . -75.77 1.02 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 72.12 111.09 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 43.91 34.86 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 63.42 110.89 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -152.29 128.59 10.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 61.23 110.884 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.77 90.89 5.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 74.22 110.883 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.479 HD21 ' CD1' ' A' ' 124' ' ' PHE . 5.5 mp -61.66 159.82 31.14 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 64.13 110.938 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -49.03 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.684 2.256 . . . . 71.43 112.331 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.608 HG21 ' CG ' ' A' ' 126' ' ' TYR . 9.0 t -98.4 167.81 10.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 71.35 111.185 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.9 m -122.23 -21.58 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 71.12 111.134 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 82' ' ' LEU . 11.1 mt -80.68 71.79 7.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 64.14 110.904 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.42 -174.81 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 75.41 110.864 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.812 ' HD2' HD23 ' A' ' 42' ' ' LEU . 2.4 p90 -152.11 174.36 13.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 73.34 110.87 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.768 HG23 HD22 ' A' ' 70' ' ' LEU . 48.8 pt -114.26 142.16 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 72.4 111.17 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -22.75 33.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 75.33 110.899 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.66 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -69.98 -10.14 57.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.31 111.192 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -118.52 5.28 11.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 71.4 110.815 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.419 HG13 ' CE1' ' A' ' 84' ' ' PHE . 18.1 mm -124.18 -34.3 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 73.14 111.125 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.559 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 4.7 ttp180 -59.93 -56.84 31.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 64.51 110.879 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.3 Cg_endo -69.75 4.19 2.33 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 73.12 112.379 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.21 -35.35 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 64.12 110.87 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 34' ' ' ILE . 78.3 mt -63.69 -106.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.964 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.426 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -141.93 134.44 28.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 71.15 110.916 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -64.9 -20.92 66.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 72.35 110.83 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -101.12 -3.47 29.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 75.3 110.869 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.558 HD22 ' OE1' ' A' ' 33' ' ' GLU . 16.7 tp -65.52 -23.89 66.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 72.43 110.905 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.521 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 9.9 mtp180 68.61 159.41 0.15 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.631 0.729 . . . . 70.14 110.829 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.521 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 54.1 Cg_endo -69.74 70.15 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.255 . . . . 61.51 112.352 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 m -98.41 -17.55 18.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.198 -0.455 . . . . 71.54 110.854 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.583 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -50.98 -49.25 60.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.854 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.83 -22.13 13.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 65.44 111.074 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.419 ' HB3' HD12 ' A' ' 26' ' ' LEU . 2.1 mptm? -94.53 -19.57 20.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.24 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.62 -17.37 24.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 64.2 111.103 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.639 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.5 mm -46.61 -52.36 31.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 63.44 111.116 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.2 Cg_endo -69.7 -30.78 22.03 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.669 2.246 . . . . 74.31 112.384 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.4 m -76.9 -15.16 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.31 110.93 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.655 HD11 HG22 ' A' ' 35' ' ' VAL . 3.3 mm? -95.41 -33.63 12.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 63.15 110.938 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.424 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 0.3 OUTLIER -85.57 -30.2 23.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.879 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -56.44 -21.68 27.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 61.24 110.843 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.546 HD12 ' CD ' ' A' ' 113' ' ' ARG . 19.1 pt -98.22 -10.57 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 61.31 111.107 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.7 58.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.851 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.546 ' CD ' HD12 ' A' ' 111' ' ' ILE . 20.4 mtp85 -124.51 -35.28 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 73.32 110.861 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.576 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.3 pp -142.05 171.0 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 74.23 111.087 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.576 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.3 OUTLIER -139.1 174.6 10.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.846 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -147.08 129.22 15.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.865 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -113.31 106.4 14.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 72.01 110.891 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -80.48 102.6 9.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 73.44 110.84 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.533 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 6.7 m -126.5 95.13 4.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 64.44 110.864 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 58.78 -149.29 37.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 72.35 112.478 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 40.95 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.637 2.224 . . . . 63.42 112.351 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 73' ' ' LYS . 60.8 mt -150.4 167.76 26.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 74.12 110.927 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.1 113.69 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 74.41 111.151 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.479 ' CD1' HD21 ' A' ' 78' ' ' LEU . 22.3 m-85 -96.17 163.79 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.4 110.886 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -150.9 118.55 6.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 65.44 110.945 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.608 ' CG ' HG21 ' A' ' 80' ' ' THR . 0.3 OUTLIER -121.26 157.02 56.92 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.659 0.743 . . . . 75.04 110.951 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . 0.427 ' HG3' HG21 ' A' ' 6' ' ' ILE . 53.4 Cg_endo -69.8 80.75 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 42.42 112.306 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 74.04 112.496 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.544 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.843 0.354 . . . . 73.43 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.422 ' H ' ' NE ' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -55.06 158.44 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 62.05 110.898 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.471 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -116.58 -25.76 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 74.12 111.142 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.676 HG23 ' HB2' ' A' ' 39' ' ' ASP . 5.7 m -154.69 99.52 2.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 71.53 111.125 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 174.21 9.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 74.04 112.329 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.79 159.9 33.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.878 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.897 HD11 ' HB3' ' A' ' 31' ' ' MET . 8.9 pt -115.56 116.76 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 62.13 111.159 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.21 -169.43 2.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 61.02 111.136 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.771 ' HA ' HD11 ' A' ' 28' ' ' LEU . 2.4 t70 -60.35 -20.72 60.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 73.11 110.89 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.47 -29.36 59.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 54.35 110.883 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 79.4 mm-40 -99.34 -34.24 10.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 63.4 110.867 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -68.6 -38.62 80.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.41 110.865 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -13.64 60.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 60.2 110.893 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 p -77.97 -9.7 59.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 74.21 111.094 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.423 ' HB ' HD21 ' A' ' 23' ' ' LEU . 4.0 mt -102.7 127.55 29.94 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.628 0.728 . . . . 65.15 111.151 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 148.67 65.94 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.7 2.267 . . . . 63.04 112.395 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -56.36 -24.15 42.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 73.55 110.921 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -63.1 -20.41 65.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 74.03 110.886 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -102.24 -36.82 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 72.34 110.92 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.423 HD21 ' HB ' ' A' ' 18' ' ' ILE . 8.6 mt -73.25 -53.01 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 71.3 110.936 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.94 -89.38 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 73.4 112.46 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -118.08 23.86 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 71.22 110.886 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.404 HD23 ' CB ' ' A' ' 30' ' ' MET . 0.2 OUTLIER -97.07 176.2 6.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.912 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -155.19 165.01 38.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 72.11 111.153 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.771 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -51.65 -40.99 61.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 42.44 110.913 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.01 -41.74 97.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.9 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.404 ' CB ' HD23 ' A' ' 26' ' ' LEU . 2.6 mtt -62.68 -43.0 99.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 60.35 110.862 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.897 ' HB3' HD11 ' A' ' 10' ' ' ILE . 69.3 mtp -75.69 -35.28 60.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 71.11 110.893 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -57.88 -43.16 85.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 64.22 110.826 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.713 ' OE1' HD22 ' A' ' 97' ' ' LEU . 7.6 pt-20 -78.07 -34.67 50.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.901 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.596 ' HA ' HD21 ' A' ' 93' ' ' LEU . 43.8 mt -65.57 -47.03 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 71.11 111.15 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.783 HG22 HD11 ' A' ' 108' ' ' LEU . 16.6 t -73.24 -27.27 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 72.32 111.152 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -74.88 -53.76 8.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 60.44 110.847 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -59.82 -49.66 76.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 71.22 110.931 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.583 ' HA ' HD12 ' A' ' 89' ' ' ILE . 13.1 ttt -57.91 -45.26 86.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 71.51 110.88 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.676 ' HB2' HG23 ' A' ' 7' ' ' VAL . 52.0 t0 -62.76 -29.31 70.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.853 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.6 -52.24 40.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 75.41 110.804 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.503 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -66.14 -36.02 82.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.889 -179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -75.37 -28.66 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 71.21 110.894 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.471 ' N ' HD11 ' A' ' 6' ' ' ILE . 5.1 tpt -71.67 -42.82 67.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 73.23 110.842 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -70.5 -36.99 74.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 42.11 110.892 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -63.9 -53.26 53.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.5 110.908 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 t -61.32 -26.75 68.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 73.45 110.864 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -28.55 62.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 72.12 110.863 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.4 mt -79.48 -32.66 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 64.12 111.188 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.446 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.7 mt -64.55 -19.53 65.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 72.53 110.889 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.88 36.71 2.07 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.805 -0.712 . . . . 54.32 112.504 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.11 145.24 30.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 71.12 110.888 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.71 148.91 37.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 73.01 111.17 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -61.75 -20.19 63.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 42.3 110.902 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -64.33 -37.53 87.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 70.11 110.867 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.442 ' O ' HG23 ' A' ' 57' ' ' THR . 1.7 mm100 -94.93 -31.67 13.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 63.52 110.914 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.403 HD23 ' C ' ' A' ' 56' ' ' LEU . 9.0 tt -61.21 128.68 37.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 74.34 110.851 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 55' ' ' GLN . 27.3 p -131.01 -173.6 3.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 60.34 111.095 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -51.89 -38.85 57.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.888 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.545 ' O ' HG13 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -51.52 -33.3 31.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 63.41 110.827 -179.79 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' OD1' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -73.99 -34.79 64.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 70.34 110.881 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.26 -30.99 48.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 73.12 110.848 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.96 -34.61 64.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 53.22 110.887 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 59' ' ' SER . 34.1 m -79.87 -42.63 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.03 111.14 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.467 ' N ' HG23 ' A' ' 63' ' ' VAL . 3.2 mp -63.0 -48.05 80.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.896 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.22 -44.39 79.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 64.23 110.859 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -64.75 -43.89 91.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 61.54 110.913 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 27.4 m0 -68.2 -35.56 78.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 72.04 110.896 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -24.28 44.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 72.51 110.851 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -74.28 -42.77 59.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 74.51 110.866 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 71' ' ' GLU . 2.8 pp -76.1 -38.86 56.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.921 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.614 ' N ' HD12 ' A' ' 70' ' ' LEU . 1.7 pp20? -67.07 -31.24 71.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 60.01 110.885 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.4 ptm -85.55 -19.69 30.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 65.15 110.89 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.35 0.15 42.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 75.54 110.887 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.403 ' HB1' ' CB ' ' A' ' 119' ' ' CYS . . . -73.68 0.42 12.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 62.24 111.114 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 55.05 57.89 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.857 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -160.1 156.42 26.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.928 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.95 97.95 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 64.03 110.883 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.633 HD11 ' SG ' ' A' ' 119' ' ' CYS . 6.4 mp -99.38 111.2 60.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.639 0.733 . . . . 72.32 110.955 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -26.6 27.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.647 2.231 . . . . 61.33 112.346 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.654 HG21 ' CD1' ' A' ' 126' ' ' TYR . 2.6 t -83.21 157.42 22.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 65.3 111.161 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 58.0 m -115.84 -28.21 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 53.24 111.179 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 82' ' ' LEU . 10.8 mt -96.09 73.33 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 71.22 110.876 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.648 ' HD2' HG23 ' A' ' 80' ' ' THR . 6.5 p90 -129.12 160.4 32.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 70.01 110.915 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -133.32 174.71 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 71.0 110.861 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.532 HD12 ' OG1' ' A' ' 87' ' ' THR . 22.9 pt -111.95 159.49 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 65.2 111.134 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.0 -25.69 59.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.845 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.532 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -70.73 -8.08 49.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 73.3 111.189 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.71 0.57 16.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 73.22 110.849 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 38' ' ' MET . 19.4 mm -123.36 -41.31 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 74.33 111.136 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.52 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 12.4 ttt-85 -56.25 -58.38 16.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.665 0.745 . . . . 74.44 110.842 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.4 Cg_endo -69.73 12.2 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.69 2.26 . . . . 74.41 112.323 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.409 ' H ' ' C ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -114.53 -23.62 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.884 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.596 HD21 ' HA ' ' A' ' 34' ' ' ILE . 25.5 mt -71.14 -113.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 72.02 110.919 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.55 136.39 50.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 64.43 110.896 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.19 -22.28 66.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 75.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -101.02 -3.47 29.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.51 110.868 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.713 HD22 ' OE1' ' A' ' 33' ' ' GLU . 37.3 tp -65.95 -18.82 65.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.931 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.487 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 13.0 mmt180 64.43 157.55 0.12 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.645 0.736 . . . . 73.52 110.863 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.487 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.4 Cg_endo -69.8 71.64 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.65 2.233 . . . . 74.15 112.393 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.0 m -97.71 -16.14 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 62.32 110.883 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.502 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -50.81 -49.86 57.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 73.55 110.889 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.04 -23.12 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 51.42 111.102 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.59 -23.0 17.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 73.33 110.894 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.29 -14.54 40.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 71.11 111.091 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.636 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.9 mm -45.82 -52.24 26.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.661 0.743 . . . . 64.43 111.129 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.75 -28.98 24.65 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 73.11 112.317 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.448 ' HB2' ' HE3' ' A' ' 31' ' ' MET . 8.1 m -75.89 -16.93 59.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 72.31 110.871 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.783 HD11 HG22 ' A' ' 35' ' ' VAL . 2.3 mm? -90.92 -37.56 13.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.884 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.408 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 10.2 ptt85 -83.29 -28.83 28.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 75.12 110.874 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -56.51 -22.65 34.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.897 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.512 HD12 ' CD ' ' A' ' 113' ' ' ARG . 12.1 pt -99.26 -8.25 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 72.22 111.139 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 72.92 58.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 73.34 110.838 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.512 ' CD ' HD12 ' A' ' 111' ' ' ILE . 60.8 mtt180 -123.17 -40.15 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 75.15 110.887 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 pp -149.13 161.9 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 65.41 111.088 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -127.01 178.28 6.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.847 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.43 127.72 32.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 64.21 110.896 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.07 105.11 13.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 62.42 110.886 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.0 tpp85 -73.74 102.97 4.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 61.53 110.865 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.633 ' SG ' HD11 ' A' ' 78' ' ' LEU . 8.5 m -115.85 82.03 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.883 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.54 -139.02 34.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 63.55 112.487 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 1.78 4.16 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.724 2.283 . . . . 72.12 112.29 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.3 mp -119.75 177.89 4.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 73.51 110.918 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.4 m -157.61 125.77 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 64.35 111.136 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.483 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 68.2 m-85 -106.71 173.41 6.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 73.24 110.887 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -150.11 129.04 12.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 73.03 110.932 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.654 ' CD1' HG21 ' A' ' 80' ' ' THR . 5.5 p90 -121.01 147.11 45.63 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.664 0.745 . . . . 73.22 110.944 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 80.68 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 71.44 112.384 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 73.15 112.482 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.538 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.796 0.332 . . . . 71.11 111.124 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -60.66 146.5 45.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.854 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.751 HD13 ' HB3' ' A' ' 42' ' ' LEU . 3.0 mp -93.89 -35.7 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 74.01 111.119 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.414 ' O ' HG23 ' A' ' 7' ' ' VAL . 22.7 m -151.81 120.67 3.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.642 0.734 . . . . 73.53 111.107 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -168.97 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.695 2.263 . . . . 71.55 112.335 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -95.88 170.44 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 53.2 110.973 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.847 HD11 ' HB3' ' A' ' 31' ' ' MET . 10.9 pt -115.99 121.29 67.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 75.52 111.123 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.32 -167.44 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 61.11 111.17 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.684 ' HA ' HD11 ' A' ' 28' ' ' LEU . 5.1 t70 -59.19 -20.12 51.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 64.12 110.896 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -82.77 -29.18 29.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 71.41 110.885 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -92.6 -37.92 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.54 110.872 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.466 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 10.8 t80 -68.65 -36.1 78.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 73.42 110.915 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -12.27 59.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 70.12 110.875 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 p -77.5 -10.03 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 63.02 111.124 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.477 ' HB ' HD21 ' A' ' 23' ' ' LEU . 2.7 mp -108.53 128.0 26.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.636 0.731 . . . . 74.14 111.14 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 152.67 69.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 71.31 112.376 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -20.84 57.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 73.43 110.941 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -63.74 -24.88 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 64.43 110.874 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -99.99 -39.54 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 70.23 110.912 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.477 HD21 ' HB ' ' A' ' 18' ' ' ILE . 13.8 mt -69.17 -54.22 16.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 64.21 110.939 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.31 -87.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 60.1 112.487 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -117.98 19.95 13.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 73.25 110.892 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.585 HD12 ' HB3' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -89.08 158.87 17.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 70.54 110.959 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.1 m -136.63 154.41 50.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.106 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.684 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -50.09 -41.53 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 75.23 110.905 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -38.32 87.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 51.0 110.839 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.455 ' HB2' HD23 ' A' ' 26' ' ' LEU . 2.1 mtt -64.43 -46.39 83.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 63.43 110.845 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.847 ' HB3' HD11 ' A' ' 10' ' ' ILE . 58.8 mtp -75.2 -32.22 61.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 64.21 110.915 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.53 -40.95 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 73.21 110.888 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.602 ' OE2' HD13 ' A' ' 97' ' ' LEU . 13.2 pt-20 -81.65 -27.7 33.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 72.4 110.893 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.656 HG23 ' CE2' ' A' ' 101' ' ' PHE . 34.2 mt -72.06 -47.67 53.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 72.45 111.103 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 31' ' ' MET . 21.1 t -73.52 -36.11 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 32.23 111.122 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -64.02 -51.89 62.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 62.12 110.876 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -39.27 94.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.23 110.893 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -46.22 83.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 62.44 110.848 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -66.96 -30.8 71.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 61.31 110.847 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.51 -57.81 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 65.43 110.854 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.54 ' HD2' HD11 ' A' ' 89' ' ' ILE . 9.2 t80 -60.29 -47.78 84.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 71.14 110.892 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.751 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -62.9 -31.05 72.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 63.12 110.91 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.669 ' HA ' HD11 ' A' ' 6' ' ' ILE . 64.9 ttp -66.18 -39.06 89.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 74.51 110.879 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.635 ' O ' HD12 ' A' ' 48' ' ' ILE . 4.6 ptmt -71.32 -36.52 71.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.931 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -63.05 -52.78 61.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 33.03 110.871 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 t -64.03 -25.24 68.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 53.14 110.852 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -28.86 62.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 61.4 110.891 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 44' ' ' LYS . 4.9 mt -83.32 -31.96 8.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 72.1 111.136 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.458 ' N ' HD23 ' A' ' 49' ' ' LEU . 4.3 mt -61.04 -19.51 61.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.872 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.73 -27.58 4.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 44.03 112.469 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -63.24 -173.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 74.04 110.874 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.7 p -135.55 -175.61 4.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 64.22 111.157 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -64.35 -17.97 64.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 74.34 110.849 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.4 -44.55 71.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.879 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -87.87 -32.55 18.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 75.23 110.975 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.556 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.8 tt -50.82 124.29 10.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.878 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.84 -173.18 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 45.32 111.118 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.3 mtm-85 -54.65 -50.11 68.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 71.43 110.835 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.583 ' O ' HG13 ' A' ' 63' ' ' VAL . 4.2 m -60.58 -26.06 66.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 73.55 110.864 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -74.9 -32.64 61.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 72.25 110.878 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.556 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -75.17 -38.45 60.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.828 -179.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.63 -38.6 77.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.55 110.896 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 59' ' ' SER . 27.0 m -71.0 -40.13 75.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 75.31 111.129 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -63.71 -42.58 97.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 75.54 110.919 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -37.59 87.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 64.14 110.853 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -74.44 -41.51 60.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 72.4 110.922 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -51.88 67.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.905 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -22.37 61.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 73.33 110.872 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -67.98 -45.78 73.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 73.21 110.876 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.711 HD22 ' CG2' ' A' ' 85' ' ' ILE . 3.5 pp -75.92 -33.45 59.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.93 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.694 ' N ' HD12 ' A' ' 70' ' ' LEU . 18.8 tp10 -71.31 -27.68 63.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 53.31 110.899 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.0 ptm -89.03 -23.22 22.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 73.44 110.867 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HD2' HD11 ' A' ' 122' ' ' LEU . 0.1 OUTLIER -86.35 -12.52 49.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 72.15 110.928 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.5 ' HB2' ' HZ ' ' A' ' 124' ' ' PHE . . . -71.27 -1.93 14.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 64.1 111.06 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 46.84 45.35 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.851 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -179.17 124.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 71.31 110.923 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -79.71 90.8 5.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 71.01 110.869 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 124' ' ' PHE . 2.5 mp -54.54 158.83 3.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.637 0.732 . . . . 72.31 110.884 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -49.2 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.736 2.29 . . . . 62.02 112.328 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.73 169.46 10.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 74.41 111.113 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.7 t -124.56 -32.26 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 75.01 111.153 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.477 ' HB3' HD11 ' A' ' 42' ' ' LEU . 28.1 mt -75.02 71.67 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 72.31 110.938 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.548 ' CA ' HD21 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -136.71 -174.32 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.3 110.894 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.738 ' HD2' HD23 ' A' ' 42' ' ' LEU . 3.6 p90 -159.14 163.61 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 70.23 110.924 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.711 ' CG2' HD22 ' A' ' 70' ' ' LEU . 39.3 pt -101.61 142.54 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.04 111.132 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.17 -25.84 59.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 71.25 110.897 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.82 -7.57 53.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.32 111.145 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -101.24 -20.2 15.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.898 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.54 HD11 ' HD2' ' A' ' 41' ' ' PHE . 18.4 mm -105.42 -32.49 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 72.5 111.131 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.486 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 1.6 mtp-105 -47.2 -60.87 3.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 74.31 110.858 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.0 Cg_endo -69.72 5.12 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.676 2.251 . . . . 71.2 112.346 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.05 -35.4 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 44.05 110.915 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.3 mt -61.5 -112.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 54.12 110.894 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.511 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 4.1 tt0 -139.28 143.28 37.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 74.25 110.941 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.67 -39.87 91.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 53.03 110.875 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -90.3 21.37 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.857 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.602 HD13 ' OE2' ' A' ' 33' ' ' GLU . 8.1 tp -79.69 -23.88 42.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 60.01 110.934 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.7 mtt-85 64.03 164.89 0.12 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.576 0.703 . . . . 74.45 110.863 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 71.84 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.254 . . . . 71.01 112.333 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.51 -31.89 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 64.05 110.882 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.656 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -50.3 -53.87 25.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 74.44 110.887 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.05 -22.44 15.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 63.45 111.095 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.585 ' HB3' HD12 ' A' ' 26' ' ' LEU . 12.3 mptt -95.44 -19.28 20.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 61.12 110.855 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.41 -18.51 23.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 73.15 111.132 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.638 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 6.8 mm -47.18 -51.95 38.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 70.42 111.126 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.75 -20.01 35.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.246 . . . . 74.1 112.334 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.9 m -85.65 -25.47 26.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 64.4 110.895 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.5 HD23 ' N ' ' A' ' 108' ' ' LEU . 2.5 mt -78.88 -32.08 45.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 70.32 110.913 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -82.49 -32.64 28.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.815 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -57.86 -19.68 30.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 62.25 110.879 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.632 HD12 ' CD ' ' A' ' 113' ' ' ARG . 12.0 pt -102.8 -12.66 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 65.33 111.124 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 68.48 54.07 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 52.34 110.902 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.632 ' CD ' HD12 ' A' ' 111' ' ' ILE . 27.3 mtp85 -118.29 -26.76 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.865 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.571 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.6 pp -147.79 175.98 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 72.03 111.141 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.571 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.4 OUTLIER -137.02 170.74 15.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.856 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.49 ' HG2' HG23 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -148.3 126.88 12.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.876 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -113.41 104.02 11.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 72.22 110.902 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.62 102.99 2.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 72.45 110.839 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 5.1 m -118.26 82.03 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.847 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 66.76 -139.71 37.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 70.53 112.474 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 54.2 Cg_endo -69.7 1.74 4.13 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.26 . . . . 60.42 112.335 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.443 HD11 ' HD2' ' A' ' 73' ' ' LYS . 5.4 mt -118.0 177.06 4.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 75.01 110.87 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.0 m -161.72 121.6 2.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 72.34 111.105 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.5 ' HZ ' ' HB2' ' A' ' 74' ' ' ALA . 12.2 m-85 -96.01 167.68 11.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 63.33 110.898 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -150.35 117.41 5.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 64.43 110.933 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -122.37 161.04 45.41 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.636 0.731 . . . . 75.22 110.954 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . 0.52 ' HB3' HG22 ' A' ' 6' ' ' ILE . 53.8 Cg_endo -69.67 95.23 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 72.43 112.363 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.787 -0.72 . . . . 65.13 112.528 179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.532 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.819 0.343 . . . . 44.4 111.138 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.27 165.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 71.2 110.88 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.471 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -116.58 -22.69 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 72.32 111.171 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.72 HG23 ' HB2' ' A' ' 39' ' ' ASP . 14.1 m -153.31 98.67 2.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.573 0.701 . . . . 65.43 111.09 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.3 Cg_endo -69.82 157.28 60.79 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 73.44 112.317 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 171.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 63.05 110.91 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.84 HD11 ' HB3' ' A' ' 31' ' ' MET . 8.2 pt -121.0 121.85 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 61.31 111.146 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.87 -166.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 72.41 111.153 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.811 ' HA ' HD11 ' A' ' 28' ' ' LEU . 2.9 t70 -64.75 -19.9 66.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.4 110.848 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -82.64 -30.23 29.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 74.23 110.902 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -92.87 -33.99 14.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 74.33 110.869 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.513 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 18.3 t80 -72.1 -35.87 69.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 64.45 110.836 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -67.05 -11.16 56.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 72.43 110.894 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p -76.73 -8.44 57.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 72.3 111.123 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.427 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.0 mp -107.52 129.72 23.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 65.54 111.138 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 148.07 64.12 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.718 2.279 . . . . 62.24 112.323 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -56.51 -24.05 43.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.887 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -62.9 -22.21 66.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.905 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -100.27 -38.23 8.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 62.15 110.887 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.513 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 12.4 mt -70.06 -54.22 14.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 73.32 110.94 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.4 -90.15 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 61.13 112.492 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -114.29 23.17 13.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.824 0.345 . . . . 72.43 110.901 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' HB3' ' A' ' 103' ' ' LYS . 0.2 OUTLIER -97.96 156.27 16.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 73.4 110.911 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 28' ' ' LEU . 4.8 m -135.08 159.48 41.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 41.34 111.145 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.811 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -49.25 -44.49 43.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 64.02 110.914 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.16 -36.49 79.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.862 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.79 ' HA ' HD11 ' A' ' 97' ' ' LEU . 1.5 mmt -64.65 -47.98 76.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 63.23 110.865 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.84 ' HB3' HD11 ' A' ' 10' ' ' ILE . 95.3 mtp -74.93 -31.19 61.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.848 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -59.92 -48.07 83.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 65.13 110.927 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.717 ' OE2' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -75.93 -26.2 56.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 73.02 110.896 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.489 HG23 ' CZ ' ' A' ' 101' ' ' PHE . 34.2 mt -72.68 -52.24 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 74.35 111.151 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 31' ' ' MET . 12.5 t -66.58 -28.13 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 62.24 111.181 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -42.41 64.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.878 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.654 ' HG3' HD23 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -65.11 -58.1 6.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 71.11 110.881 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -41.7 66.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 73.45 110.862 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.72 ' HB2' HG23 ' A' ' 7' ' ' VAL . 45.7 t0 -64.22 -30.9 71.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 63.31 110.855 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -66.31 -49.52 66.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 71.42 110.879 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.55 -50.42 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.702 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -63.19 -29.04 70.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 64.21 110.935 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.471 ' N ' HD11 ' A' ' 6' ' ' ILE . 40.6 ttp -67.41 -40.54 85.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 71.33 110.879 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.568 ' O ' HD12 ' A' ' 48' ' ' ILE . 1.7 ptmm? -70.34 -35.2 73.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 61.21 110.922 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -64.18 -53.14 54.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 71.43 110.929 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -62.03 -27.14 68.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 71.14 110.849 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -29.05 62.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.893 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 44' ' ' LYS . 5.7 mt -79.45 -32.04 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.52 111.114 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.528 HD11 HD21 ' A' ' 82' ' ' LEU . 5.7 mt -64.11 -19.08 65.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 72.14 110.893 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -106.67 -36.5 2.59 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 54.34 112.474 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -178.4 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 71.25 110.913 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.67 HG23 ' H ' ' A' ' 54' ' ' LYS . 14.8 t -125.72 173.74 8.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 60.52 111.165 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -56.42 -25.98 51.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 73.52 110.928 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.67 ' H ' HG23 ' A' ' 52' ' ' THR . 47.0 mtpt -65.31 -42.08 93.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.886 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -82.76 -35.83 26.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 75.21 110.908 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.719 HD21 ' HD2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -49.92 130.05 21.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 73.13 110.922 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.64 -173.61 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 62.52 111.155 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -50.9 -52.68 39.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 55.12 110.898 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.593 ' O ' HG13 ' A' ' 63' ' ' VAL . 4.3 m -55.97 -31.17 62.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 75.23 110.873 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -74.59 -33.68 62.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 65.41 110.883 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.719 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -75.98 -35.86 59.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.89 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.27 -35.63 71.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 62.21 110.867 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 59' ' ' SER . 28.4 m -75.17 -38.86 42.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 63.12 111.093 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.537 HD12 ' HE3' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -65.25 -45.65 83.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 63.53 110.92 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.15 -35.73 80.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 63.11 110.897 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -73.97 -41.59 61.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 61.2 110.851 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.537 ' HE3' HD12 ' A' ' 64' ' ' LEU . 13.6 m0 -60.0 -42.26 93.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.902 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.92 -23.86 58.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.81 -42.75 60.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 71.45 110.867 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.73 HD22 ' CG2' ' A' ' 85' ' ' ILE . 2.8 pp -73.8 -37.96 64.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 64.03 110.906 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.617 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.5 tm-20 -66.75 -34.08 77.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 52.54 110.889 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.1 ptm -88.49 -12.3 43.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.835 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -87.4 -20.28 26.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 72.2 110.91 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.525 ' HB1' ' HB3' ' A' ' 119' ' ' CYS . . . -73.56 -0.4 15.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 74.33 111.153 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 48.1 55.55 8.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.888 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 177.64 129.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 52.43 110.866 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -81.89 90.78 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 74.52 110.896 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.552 HD21 ' CD1' ' A' ' 124' ' ' PHE . 5.6 mp -56.13 159.01 6.4 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.635 0.731 . . . . 65.12 110.914 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -48.43 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.68 2.254 . . . . 61.33 112.381 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.36 160.43 16.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 72.34 111.103 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.1 m -119.24 -10.62 9.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 73.31 111.118 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.528 HD21 HD11 ' A' ' 49' ' ' LEU . 11.7 mt -101.03 74.85 1.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 54.41 110.946 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.04 -174.91 3.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 75.21 110.887 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.702 ' HD2' HD23 ' A' ' 42' ' ' LEU . 4.4 p90 -154.17 160.53 41.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.852 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.73 ' CG2' HD22 ' A' ' 70' ' ' LEU . 29.0 pt -99.97 142.65 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 64.34 111.126 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.39 -21.09 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 74.31 110.903 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -8.25 52.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.41 111.119 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -114.38 0.36 14.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 72.01 110.892 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -123.37 -35.44 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 73.53 111.091 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.52 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 11.4 ttm180 -48.81 -58.48 8.38 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.738 . . . . 71.54 110.9 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.71 6.17 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.728 2.285 . . . . 73.14 112.345 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.25 -27.46 10.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.51 110.862 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.717 HD22 ' OE2' ' A' ' 33' ' ' GLU . 22.2 mt -63.94 -112.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 71.51 110.925 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.446 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 2.4 mt-30 -142.63 125.84 16.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 54.53 110.911 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -63.91 -17.25 63.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 74.14 110.865 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -101.14 -6.91 23.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 75.02 110.839 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.79 HD11 ' HA ' ' A' ' 30' ' ' MET . 12.4 tp -69.61 -18.16 63.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 43.51 110.9 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 65.08 164.51 0.12 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.56 0.695 . . . . 74.15 110.883 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 70.17 1.6 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.704 2.269 . . . . 61.4 112.323 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.42 -23.31 16.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 52.35 110.848 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.489 ' CZ ' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -51.6 -50.92 59.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.907 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.68 -21.95 12.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 51.32 111.08 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.454 ' HB3' HD12 ' A' ' 26' ' ' LEU . 4.3 mptp? -97.78 -20.33 17.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 74.21 110.944 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.36 -17.06 31.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 51.03 111.077 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.635 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 10.7 mm -46.32 -52.41 28.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 51.22 111.132 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.8 Cg_endo -69.79 -28.82 24.64 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.674 2.25 . . . . 74.24 112.352 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.414 ' HB2' ' HE3' ' A' ' 31' ' ' MET . 11.1 m -76.16 -18.12 59.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.903 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.687 HD11 HG22 ' A' ' 35' ' ' VAL . 3.4 mm? -91.5 -35.92 14.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 74.51 110.923 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.42 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 10.5 ptt180 -83.51 -29.45 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 63.24 110.85 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -56.64 -21.21 25.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 63.33 110.84 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 11.5 pt -102.88 -7.86 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.44 111.135 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.27 56.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 75.34 110.853 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.45 ' HG3' HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -118.43 -31.99 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.891 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.578 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.6 pp -146.59 179.72 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 63.43 111.168 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.578 ' N ' HD12 ' A' ' 114' ' ' ILE . 1.1 mtt180 -143.41 172.54 12.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 75.14 110.877 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.35 126.89 15.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.896 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.59 106.39 14.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 51.53 110.894 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.25 102.48 10.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.889 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.525 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 4.8 m -125.35 97.59 5.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 71.1 110.884 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.403 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 57.58 -149.63 32.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 64.12 112.456 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 40.98 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.681 2.254 . . . . 64.23 112.329 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.403 ' H ' ' C ' ' A' ' 120' ' ' GLY . 54.2 mt -150.97 169.45 21.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 64.41 110.864 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -152.98 113.05 3.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 70.14 111.145 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.552 ' CD1' HD21 ' A' ' 78' ' ' LEU . 25.9 m-85 -95.82 163.33 13.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 75.51 110.876 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -150.34 118.06 6.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 71.03 110.939 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -121.28 149.27 51.53 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.683 0.754 . . . . 72.44 110.927 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 89.31 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 42.44 112.378 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 54.31 112.473 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.522 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.82 0.343 . . . . 73.12 111.16 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.62 159.05 9.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.839 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.526 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -117.45 -22.55 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 63.12 111.162 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.545 HG23 ' HB2' ' A' ' 39' ' ' ASP . 11.8 m -153.16 99.21 2.71 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.642 0.734 . . . . 74.02 111.132 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 54.0 Cg_endo -69.74 173.11 11.44 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.244 . . . . 63.31 112.355 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -71.78 161.76 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 75.44 110.922 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.832 HD11 ' HB3' ' A' ' 31' ' ' MET . 17.6 pt -114.93 129.02 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 63.45 111.112 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.443 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -96.61 -171.69 2.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 74.24 111.153 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.744 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -60.19 -21.0 61.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 72.44 110.928 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -72.52 -29.14 63.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 63.52 110.915 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.524 ' O ' HG22 ' A' ' 17' ' ' THR . 5.8 mm-40 -101.46 -45.33 5.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 65.2 110.923 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -55.85 -34.02 65.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 74.51 110.928 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -9.36 58.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 72.2 110.915 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -78.27 -2.4 37.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 72.41 111.127 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.422 HG23 ' HD2' ' A' ' 19' ' ' PRO . 3.4 mp -114.61 132.82 22.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.644 0.735 . . . . 50.14 111.098 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HD2' HG23 ' A' ' 18' ' ' ILE . 53.3 Cg_endo -69.75 150.03 67.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 73.34 112.343 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -58.41 -24.39 59.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.44 110.898 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -63.69 -20.43 65.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 71.34 110.891 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -104.68 -33.71 8.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 26' ' ' LEU . 82.2 mt -60.5 -59.01 6.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 61.45 110.882 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.94 70.6 1.02 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.734 . . . . 32.23 112.495 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 67.06 11.59 8.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 71.23 110.863 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 23' ' ' LEU . 1.9 mt -75.27 159.1 31.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.901 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.72 154.28 45.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 52.23 111.129 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.744 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -49.95 -42.19 48.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.863 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.54 -39.8 85.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 51.33 110.871 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 61.8 mtt -64.05 -46.32 84.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 71.23 110.86 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.832 ' HB3' HD11 ' A' ' 10' ' ' ILE . 49.2 mtt -74.27 -31.81 62.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.858 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -60.46 -42.63 96.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.01 110.923 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.677 ' OE2' HD13 ' A' ' 97' ' ' LEU . 11.1 pt-20 -79.86 -27.88 40.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 64.4 110.873 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.676 HG22 ' HE3' ' A' ' 38' ' ' MET . 46.3 mt -72.94 -45.89 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 53.54 111.127 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 31' ' ' MET . 21.9 t -74.37 -28.69 23.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 71.44 111.133 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -72.24 -52.89 14.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 63.33 110.823 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.447 ' HB2' HD23 ' A' ' 93' ' ' LEU . 4.2 mmtt -62.39 -50.19 72.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 63.05 110.875 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.676 ' HE3' HG22 ' A' ' 34' ' ' ILE . 7.6 ptp -54.63 -38.14 66.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.891 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.545 ' HB2' HG23 ' A' ' 7' ' ' VAL . 48.6 t0 -68.64 -29.25 67.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 74.04 110.834 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.66 -47.95 65.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.445 . . . . 63.24 110.821 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.02 -40.01 87.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.841 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.783 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -72.39 -32.09 66.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 64.13 110.897 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.526 ' N ' HD11 ' A' ' 6' ' ' ILE . 60.0 ttp -67.54 -41.33 84.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.874 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' O ' HD12 ' A' ' 48' ' ' ILE . 18.3 ptpt -71.08 -34.41 71.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 72.35 110.925 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.54 ' CG ' HD23 ' A' ' 82' ' ' LEU . 22.2 tptt -63.8 -53.22 54.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.867 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.523 ' HA ' HD21 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -64.17 -24.93 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 63.53 110.858 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -28.87 62.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 51.15 110.878 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 44' ' ' LYS . 8.0 mt -81.92 -31.8 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.123 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.448 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.5 mt -62.62 -19.65 63.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 52.12 110.935 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -108.64 -35.26 2.46 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.729 . . . . 64.1 112.526 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -53.7 174.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 70.05 110.87 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.52 HG23 ' H ' ' A' ' 55' ' ' GLN . 9.0 t -112.51 167.75 10.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 64.23 111.127 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.93 -23.54 65.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 61.11 110.902 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -75.77 -39.7 56.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 74.3 110.888 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.52 ' H ' HG23 ' A' ' 52' ' ' THR . 8.9 tp-100 -82.58 -31.57 28.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.878 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.735 HD21 ' HD2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -51.64 136.51 26.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 50.1 110.896 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.25 -177.39 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 75.21 111.165 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -60.05 -44.23 94.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 71.43 110.86 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.54 ' O ' HG13 ' A' ' 63' ' ' VAL . 39.2 t -58.4 -34.88 71.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.863 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -73.91 -32.45 63.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 65.12 110.896 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.735 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -74.74 -44.36 50.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 73.51 110.913 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -63.71 -41.76 98.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 73.5 110.904 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 59' ' ' SER . 26.8 m -68.42 -37.12 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 65.12 111.105 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -63.06 -40.58 98.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 53.51 110.897 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.44 -35.62 73.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 65.22 110.831 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -73.75 -45.02 54.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 51.05 110.848 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -61.15 -41.19 96.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.891 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -22.22 58.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 73.54 110.882 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -74.19 -41.27 61.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 61.11 110.896 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.73 HD22 ' CG2' ' A' ' 85' ' ' ILE . 3.0 pp -76.29 -35.88 58.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 70.24 110.934 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.604 ' N ' HD12 ' A' ' 70' ' ' LEU . 6.1 pt-20 -71.12 -26.61 63.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 72.34 110.883 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.8 ptm -89.3 -28.03 20.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 73.03 110.906 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.697 ' HG3' HD11 ' A' ' 122' ' ' LEU . 8.4 ptmm? -81.82 -12.62 58.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 75.4 110.882 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.452 ' HB2' ' HZ ' ' A' ' 124' ' ' PHE . . . -72.52 0.74 9.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 61.55 111.112 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 43.48 38.52 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 73.04 110.881 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -162.56 120.41 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.908 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 -76.97 91.03 3.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 73.45 110.847 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.543 HD21 ' CD1' ' A' ' 124' ' ' PHE . 1.1 mp -58.52 159.52 12.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.585 0.707 . . . . 72.14 110.913 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -49.48 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.694 2.262 . . . . 71.01 112.313 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.625 HG21 ' CG ' ' A' ' 126' ' ' TYR . 13.4 t -95.92 166.88 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 64.04 111.173 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.9 m -120.66 -17.28 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 75.11 111.17 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.54 HD23 ' CG ' ' A' ' 45' ' ' LYS . 9.0 mt -87.92 74.71 8.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 71.12 110.908 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.35 -174.22 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 75.42 110.901 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.783 ' HD2' HD23 ' A' ' 42' ' ' LEU . 3.7 p90 -156.47 163.43 39.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 42.35 110.865 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.73 ' CG2' HD22 ' A' ' 70' ' ' LEU . 47.3 pt -100.77 143.16 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 63.21 111.122 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.66 -26.52 56.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.91 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -6.75 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 60.45 111.133 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.8 -26.89 14.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 75.25 110.892 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.512 HG13 ' CE1' ' A' ' 84' ' ' PHE . 11.9 mm -101.45 -33.7 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 61.33 111.096 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.517 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.3 OUTLIER -48.02 -59.23 6.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.648 0.737 . . . . 75.12 110.921 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.4 Cg_endo -69.83 7.61 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.626 2.218 . . . . 55.54 112.36 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.85 -27.47 8.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 71.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 37' ' ' LYS . 45.6 mt -66.41 -116.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 62.4 110.935 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.492 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.7 tt0 -137.31 143.9 42.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 62.33 110.911 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -65.84 -39.15 90.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.878 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -89.51 21.14 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 64.32 110.882 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.677 HD13 ' OE2' ' A' ' 33' ' ' GLU . 11.2 tp -83.99 -19.32 34.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 71.12 110.909 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.406 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 56.7 mmt-85 61.28 161.36 0.11 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.627 0.727 . . . . 72.23 110.853 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.8 Cg_endo -69.8 69.51 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 61.22 112.324 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.3 p -98.54 -24.47 15.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 73.34 110.865 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.548 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -51.35 -52.52 44.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 75.45 110.898 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.4 -21.64 16.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 65.41 111.103 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -96.35 -21.11 17.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 52.43 110.905 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.92 -21.75 27.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 62.34 111.066 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.647 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.5 mm -46.88 -51.43 39.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.666 0.746 . . . . 74.23 111.165 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.7 Cg_endo -69.8 -22.95 31.16 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.659 2.239 . . . . 73.32 112.36 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.3 m -82.37 -26.41 32.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 64.02 110.902 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.506 HD23 ' N ' ' A' ' 108' ' ' LEU . 2.2 mt -78.98 -39.06 35.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.955 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.07 -29.23 49.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.868 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -56.37 -22.14 29.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.87 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -104.58 -6.66 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 75.4 111.093 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 67.78 56.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.01 110.862 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.06 -30.59 4.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 73.23 110.838 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.561 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.7 pp -144.36 175.41 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 62.12 111.16 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.561 ' N ' HD12 ' A' ' 114' ' ' ILE . 2.0 mtt180 -139.05 175.27 9.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 72.24 110.883 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -155.64 130.69 9.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 63.15 110.911 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.53 119.4 38.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 64.32 110.905 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -86.63 102.89 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 72.25 110.83 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.7 m -126.97 91.17 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 43.22 110.879 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.431 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 61.48 -150.26 44.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 35.41 112.449 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 38.79 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.698 2.266 . . . . 73.55 112.309 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.697 HD11 ' HG3' ' A' ' 73' ' ' LYS . 77.5 mt -146.33 166.1 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.55 110.893 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -153.29 114.32 4.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 73.23 111.16 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.543 ' CD1' HD21 ' A' ' 78' ' ' LEU . 12.8 m-85 -96.35 168.67 10.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 65.41 110.86 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -153.11 117.86 5.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.904 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.625 ' CG ' HG21 ' A' ' 80' ' ' THR . 0.3 OUTLIER -121.46 153.11 58.88 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.688 0.756 . . . . 75.43 110.897 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 88.73 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 71.01 112.346 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 62.51 112.507 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.549 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.843 0.354 . . . . 64.43 111.151 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.53 149.13 43.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.862 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.758 HD11 ' HA ' ' A' ' 43' ' ' MET . 1.0 OUTLIER -100.9 -31.91 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 71.2 111.141 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 7' ' ' VAL . 15.8 m -149.25 100.52 3.38 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.621 0.724 . . . . 75.34 111.139 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.4 Cg_endo -69.79 162.53 41.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 73.34 112.358 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -61.07 173.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 41.33 110.884 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.87 HD11 ' HB3' ' A' ' 31' ' ' MET . 10.7 pt -122.73 122.43 65.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 71.25 111.134 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.05 -167.27 1.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 75.33 111.097 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.798 ' HA ' HD11 ' A' ' 28' ' ' LEU . 2.8 t70 -63.17 -20.67 65.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.904 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.71 -29.83 29.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 64.41 110.832 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.416 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 56.9 mm-40 -91.73 -35.35 14.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 71.34 110.86 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.421 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 9.0 t80 -71.24 -34.88 71.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 75.5 110.917 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -68.48 -10.96 58.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 73.32 110.902 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 p -77.17 -9.48 58.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 72.14 111.167 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.469 ' HB ' HD21 ' A' ' 23' ' ' LEU . 2.8 mp -106.03 129.47 24.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.748 . . . . 75.32 111.145 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 148.61 65.28 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.675 2.25 . . . . 73.1 112.356 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -56.82 -23.92 47.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 62.22 110.878 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -62.9 -22.86 67.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 73.34 110.92 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -99.73 -38.18 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 65.42 110.894 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.469 HD21 ' HB ' ' A' ' 18' ' ' ILE . 13.0 mt -70.51 -52.95 18.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 63.14 110.943 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.66 -89.21 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 74.44 112.476 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -117.42 23.49 11.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.808 0.337 . . . . 61.2 110.854 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.71 165.4 12.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 71.22 110.885 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -143.89 162.17 36.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 73.23 111.102 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.798 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -50.74 -40.91 55.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 63.44 110.947 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.03 -41.7 98.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.851 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.9 mtt -61.88 -44.37 96.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 62.31 110.897 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.87 ' HB3' HD11 ' A' ' 10' ' ' ILE . 76.8 mtp -75.96 -34.2 59.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 43.53 110.919 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -57.92 -40.44 80.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 73.02 110.862 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.757 ' OE1' HD22 ' A' ' 97' ' ' LEU . 12.9 pt-20 -80.84 -35.64 32.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 72.42 110.873 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.699 HG23 ' CE2' ' A' ' 101' ' ' PHE . 50.9 mt -64.66 -46.31 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 75.03 111.119 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.698 HG22 HD11 ' A' ' 108' ' ' LEU . 14.3 t -74.77 -28.64 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.22 111.15 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -72.43 -53.37 12.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 63.24 110.83 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -62.24 -49.77 74.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.89 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.546 ' HA ' HD12 ' A' ' 89' ' ' ILE . 14.9 tpt -54.52 -45.68 73.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 53.25 110.902 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.505 ' HB2' HG23 ' A' ' 7' ' ' VAL . 37.0 t0 -65.13 -29.33 70.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 75.5 110.812 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -64.6 -57.14 9.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 71.24 110.835 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CG ' ' CE2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -58.71 -47.81 83.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 65.11 110.877 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.748 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -62.56 -35.65 80.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 62.33 110.912 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.758 ' HA ' HD11 ' A' ' 6' ' ' ILE . 63.5 ttp -61.92 -37.3 84.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 72.41 110.91 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.475 ' O ' HD12 ' A' ' 48' ' ' ILE . 1.9 tptt -70.99 -48.19 54.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.947 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.457 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -51.45 -52.53 45.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 63.31 110.912 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 t -62.44 -35.38 79.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 74.14 110.857 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -27.3 62.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 72.24 110.845 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.572 HG23 ' OD2' ' A' ' 60' ' ' ASP . 6.6 mt -77.64 -31.11 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.427 . . . . 73.51 111.107 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.643 HD11 HD21 ' A' ' 82' ' ' LEU . 5.4 mt -62.21 -26.43 68.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 63.34 110.936 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -102.69 -32.13 4.91 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.77 -0.728 . . . . 65.3 112.46 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 171.62 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.346 . . . . 74.52 110.886 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.56 HG23 ' H ' ' A' ' 54' ' ' LYS . 15.3 t -118.05 172.13 7.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.32 111.158 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -56.92 -27.02 60.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 74.35 110.842 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.56 ' H ' HG23 ' A' ' 52' ' ' THR . 53.5 mtpt -63.15 -46.77 85.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 71.01 110.868 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.607 ' O ' HG23 ' A' ' 57' ' ' THR . 10.7 mm100 -82.42 -33.35 28.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 75.52 110.933 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.764 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -49.58 122.5 6.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 75.51 110.933 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 55' ' ' GLN . 28.7 p -120.86 -172.43 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 74.41 111.107 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -50.28 -53.75 26.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 71.14 110.879 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.549 ' O ' HG13 ' A' ' 63' ' ' VAL . 10.0 t -56.99 -30.06 63.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 73.2 110.827 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.572 ' OD2' HG23 ' A' ' 48' ' ' ILE . 16.0 t0 -73.7 -37.05 65.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.814 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.764 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -78.12 -36.79 47.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 71.31 110.86 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.62 -40.4 88.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.86 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 59' ' ' SER . 32.0 m -72.48 -43.13 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 73.12 111.084 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.465 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.5 OUTLIER -60.47 -44.95 95.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 70.43 110.934 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -38.55 90.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.814 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -71.19 -46.69 60.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 73.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -43.34 73.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 73.41 110.916 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -72.97 -23.25 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 74.52 110.859 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -73.78 -38.69 64.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 71.31 110.895 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.8 mt -76.47 -35.26 58.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.5 110.897 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -71.2 -27.0 63.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 70.14 110.869 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.7 ptm -89.41 -25.05 21.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 64.32 110.863 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.02 -10.88 51.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 74.54 110.875 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.66 -0.6 13.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 62.31 111.104 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 48.39 30.6 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 74.04 110.841 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.2 tptt 179.72 138.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.02 110.95 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.5 mmt-85 -79.16 96.25 5.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 73.4 110.902 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.469 HD11 ' SG ' ' A' ' 119' ' ' CYS . 4.4 mp -49.1 154.62 1.31 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.567 0.699 . . . . 73.13 110.955 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.64 24.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 74.03 112.348 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.687 HG21 ' CG ' ' A' ' 126' ' ' TYR . 0.7 OUTLIER -124.78 151.72 44.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.34 111.168 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.1 m -107.93 -22.45 12.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 73.04 111.144 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.643 HD21 HD11 ' A' ' 49' ' ' LEU . 28.3 mt -103.4 65.99 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.893 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.545 ' HD2' HG23 ' A' ' 80' ' ' THR . 8.2 p90 -121.86 155.63 34.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 52.32 110.861 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.445 ' CE2' ' CG ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -128.48 176.84 7.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 71.05 110.874 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.587 HD12 ' OG1' ' A' ' 87' ' ' THR . 30.9 pt -118.24 149.29 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 73.23 111.099 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.36 -28.62 69.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 73.24 110.938 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.587 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -67.96 -9.3 44.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 63.43 111.104 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.1 2.71 18.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 73.24 110.848 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 38' ' ' MET . 23.8 mm -124.41 -41.05 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 74.44 111.163 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.484 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -56.75 -60.4 9.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.645 0.736 . . . . 75.01 110.887 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.1 Cg_endo -69.75 19.72 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.729 2.286 . . . . 51.15 112.295 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.475 ' H ' ' C ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -120.73 -26.2 5.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 52.32 110.88 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' A' ' 34' ' ' ILE . 8.8 mt -72.62 -121.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.912 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.486 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 4.2 tt0 -122.48 145.71 48.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 71.31 110.919 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -68.06 -35.91 79.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.867 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -89.2 14.16 11.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 65.11 110.872 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.757 HD22 ' OE1' ' A' ' 33' ' ' GLU . 13.8 tp -77.18 -22.34 52.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.926 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 64.38 163.9 0.12 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 74.33 110.854 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 69.62 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.683 2.255 . . . . 64.44 112.343 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 81.5 p -98.06 -25.45 14.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 60.14 110.872 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.699 ' CE2' HG23 ' A' ' 34' ' ' ILE . 1.2 t80 -50.93 -51.56 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 73.22 110.871 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.0 -22.97 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 74.41 111.067 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -97.87 -19.97 17.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 75.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.82 -18.99 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 54.42 111.069 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.639 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 19.7 mm -46.98 -51.56 39.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.603 0.716 . . . . 72.25 111.151 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.82 -29.81 23.01 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.698 2.265 . . . . 62.13 112.279 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 8.3 m -74.9 -20.14 59.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 71.13 110.872 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.698 HD11 HG22 ' A' ' 35' ' ' VAL . 2.8 mm? -88.47 -41.44 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 72.35 110.927 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.447 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 13.0 ptm180 -77.04 -32.28 56.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 72.55 110.859 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -55.9 -22.74 27.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 62.25 110.878 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 24.8 pt -104.43 -9.1 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 63.23 111.131 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.52 56.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 75.3 110.86 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.8 -36.08 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 73.33 110.882 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.526 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.3 pp -148.21 -179.03 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 73.25 111.143 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.526 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.4 OUTLIER -143.8 176.28 9.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.896 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 124' ' ' PHE . 2.9 pm0 -144.84 133.65 22.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 72.51 110.927 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.79 105.3 13.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 75.53 110.884 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.9 tpp85 -73.24 103.05 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.905 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.469 ' SG ' HD11 ' A' ' 78' ' ' LEU . 15.7 m -117.77 82.24 1.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 41.22 110.873 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 69.08 -139.83 33.21 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 73.54 112.44 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 0.78 5.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 75.25 112.374 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.0 mt -116.0 172.79 6.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 53.13 110.95 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.9 m -152.53 121.9 6.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 65.13 111.168 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 84.1 m-85 -101.53 177.03 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 64.22 110.879 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -152.81 123.92 7.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 72.31 110.924 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.687 ' CG ' HG21 ' A' ' 80' ' ' THR . 3.8 p90 -120.96 159.88 47.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 64.12 110.935 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' ' 126' ' ' TYR . 53.6 Cg_endo -69.81 102.26 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 44.41 112.342 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 71.24 112.482 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.504 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.86 0.362 . . . . 73.34 111.094 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -79.86 173.94 12.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 65.11 110.893 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.506 HD11 ' HB3' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -120.06 -19.75 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 71.33 111.108 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.571 HG23 ' HB2' ' A' ' 39' ' ' ASP . 14.9 m -153.35 103.02 2.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 71.13 111.098 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.9 Cg_endo -69.74 147.89 64.01 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.717 2.278 . . . . 75.51 112.315 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -51.15 167.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.912 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.677 HD11 ' HB3' ' A' ' 31' ' ' MET . 13.1 pt -116.42 133.54 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 72.44 111.169 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.501 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -105.44 -172.85 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.14 111.095 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.678 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -57.29 -21.6 35.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 71.21 110.897 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -68.14 -29.69 68.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 71.45 110.912 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.685 ' O ' HG22 ' A' ' 17' ' ' THR . 11.9 mm-40 -104.42 -47.42 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 52.51 110.897 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -52.92 -33.16 49.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 74.12 110.854 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -21.48 52.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 72.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.685 HG22 ' O ' ' A' ' 14' ' ' GLU . 1.5 t -76.88 -6.58 53.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 71.41 111.175 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.608 HG21 ' HB3' ' A' ' 107' ' ' CYS . 2.3 mt -119.87 94.81 48.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.667 0.746 . . . . 55.31 111.178 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 165.27 31.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 73.43 112.348 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -52.03 -24.4 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 75.42 110.915 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -61.25 -22.16 64.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 65.15 110.874 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -115.37 -32.16 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 64.45 110.925 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.647 ' O ' HD12 ' A' ' 26' ' ' LEU . 54.5 mt -61.19 -57.84 10.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 64.51 110.943 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.52 76.98 0.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 75.23 112.49 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 68.15 12.08 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 61.23 110.859 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.647 HD12 ' O ' ' A' ' 23' ' ' LEU . 2.3 mt -91.64 172.24 8.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 55.44 110.904 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -156.59 163.45 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 51.25 111.121 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.678 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -54.38 -41.51 69.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.925 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -38.31 84.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.883 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.435 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -62.24 -47.23 85.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 61.54 110.862 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.76 ' O ' HG23 ' A' ' 35' ' ' VAL . 13.2 mtm -75.62 -34.49 60.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 74.12 110.909 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -56.44 -42.69 78.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 64.54 110.924 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.614 ' OE1' HD22 ' A' ' 97' ' ' LEU . 8.3 pt-20 -80.32 -35.09 36.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 71.31 110.913 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.56 HG23 ' CE2' ' A' ' 101' ' ' PHE . 33.3 mt -64.54 -46.39 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 64.51 111.126 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.79 HG22 HD11 ' A' ' 108' ' ' LEU . 6.7 t -75.23 -28.46 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 64.32 111.135 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -73.06 -47.89 40.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 51.12 110.896 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.423 ' HB2' HD23 ' A' ' 93' ' ' LEU . 7.9 mptt -66.4 -55.39 16.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 74.15 110.895 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.453 ' SD ' HG21 ' A' ' 7' ' ' VAL . 4.4 ppp? -53.3 -38.62 63.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 63.24 110.861 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.571 ' HB2' HG23 ' A' ' 7' ' ' VAL . 38.4 t0 -69.12 -29.13 67.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.21 110.891 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.42 -51.94 45.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 63.35 110.828 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -63.22 -41.14 99.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 71.01 110.893 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.77 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -71.89 -31.55 66.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 64.13 110.911 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.401 ' N ' HD11 ' A' ' 6' ' ' ILE . 37.0 ttp -65.67 -40.8 92.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 70.35 110.905 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.63 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -73.42 -36.95 66.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 64.4 110.871 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 3.3 mtmt -59.51 -52.68 64.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.894 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.408 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 5.9 t -65.0 -32.99 74.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.843 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -30.16 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.2 110.942 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.672 HD13 HG21 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -83.52 -32.21 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 74.32 111.186 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 5.5 mt -63.65 -16.94 62.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.883 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -108.87 -35.93 2.29 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.777 -0.725 . . . . 65.44 112.479 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.52 174.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 62.14 110.885 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 p -120.87 177.45 5.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 63.52 111.111 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -59.39 -20.83 57.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 61.53 110.87 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -72.14 -31.75 66.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 62.32 110.931 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.706 ' O ' HG23 ' A' ' 57' ' ' THR . 23.5 mp0 -99.78 -25.54 14.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.895 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 56' ' ' LEU . 3.0 tt -51.1 118.96 3.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 74.03 110.975 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 55' ' ' GLN . 41.8 p -124.74 -171.78 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 63.14 111.131 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -50.49 -42.98 55.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.908 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.589 ' O ' HG13 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -65.65 -28.64 69.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 45.32 110.87 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.494 ' OD2' HG23 ' A' ' 48' ' ' ILE . 4.8 t0 -74.48 -34.94 63.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 73.31 110.812 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.444 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -77.75 -35.95 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 71.34 110.875 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -36.92 76.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.0 110.843 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.672 HG21 HD13 ' A' ' 48' ' ' ILE . 32.7 m -75.03 -41.77 45.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 63.52 111.13 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.648 HD13 HG21 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -61.85 -45.58 93.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 62.15 110.963 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.95 -41.81 90.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.884 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -66.68 -46.72 74.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 64.21 110.899 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.68 ' HA ' HD12 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -55.34 -48.45 74.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.943 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -23.88 67.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 62.41 110.923 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -32.55 65.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 73.54 110.923 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.729 HD22 HG23 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -78.03 -40.18 39.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 74.24 110.906 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.81 -28.43 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 70.31 110.866 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.1 ptp -87.14 -22.38 25.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 70.44 110.889 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -83.5 -16.49 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.885 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.782 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -75.75 0.62 17.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 63.52 111.069 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 48.76 34.64 5.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 71.11 110.834 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.81 177.13 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 55.24 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -110.67 95.04 5.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 75.35 110.905 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 124' ' ' PHE . 7.7 mp -51.12 161.54 0.71 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.656 0.741 . . . . 64.34 110.89 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -37.79 8.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 71.12 112.345 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.18 172.04 8.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 60.14 111.182 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.4 m -120.66 -20.38 7.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 74.03 111.099 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.548 ' HB3' HD11 ' A' ' 42' ' ' LEU . 11.9 mt -106.44 75.25 1.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 72.12 110.904 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -133.25 162.99 30.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.865 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.77 ' HD2' HD23 ' A' ' 42' ' ' LEU . 4.8 p90 -139.41 175.2 9.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 71.51 110.913 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.729 HG23 HD22 ' A' ' 70' ' ' LEU . 40.8 pt -106.51 146.45 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 73.14 111.144 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -26.57 57.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 44.41 110.895 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.438 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -75.32 -7.12 53.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 74.32 111.133 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -97.24 -21.35 17.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 71.51 110.85 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.478 HG13 ' CE1' ' A' ' 84' ' ' PHE . 12.0 mm -109.14 -32.08 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 73.43 111.091 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.533 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 2.2 ttp85 -49.54 -58.31 9.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.54 0.686 . . . . 60.15 110.846 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.3 Cg_endo -69.72 4.82 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.692 2.261 . . . . 71.31 112.345 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -32.46 8.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.42 110.881 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.461 HD21 ' HA ' ' A' ' 34' ' ' ILE . 83.1 mt -64.45 -113.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 53.1 110.882 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.508 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.7 tt0 -141.63 145.86 35.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.914 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -69.31 -39.48 78.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 71.21 110.866 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.8 13.47 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 74.52 110.891 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.614 HD22 ' OE1' ' A' ' 33' ' ' GLU . 12.2 tp -77.94 -23.31 48.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.925 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 64.41 164.09 0.12 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.699 . . . . 73.04 110.866 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 70.96 1.57 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.639 2.226 . . . . 74.41 112.359 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.416 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -98.57 -25.49 14.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 63.45 110.847 -179.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.56 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -51.38 -50.85 58.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.1 110.843 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.34 -22.03 11.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 62.53 111.06 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -99.43 -19.86 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 75.54 110.923 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.63 -17.77 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.32 111.112 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.642 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 17.2 mm -46.29 -52.12 30.32 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 61.14 111.106 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.3 Cg_endo -69.73 -32.7 18.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.632 2.221 . . . . 73.25 112.383 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.608 ' HB3' HG21 ' A' ' 18' ' ' ILE . 9.0 m -74.0 -17.59 60.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 54.13 110.875 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.79 HD11 HG22 ' A' ' 35' ' ' VAL . 3.3 mm? -92.51 -39.29 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 75.13 110.911 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.43 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 9.4 ptm180 -79.35 -31.22 42.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.913 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -56.72 -21.01 24.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 75.13 110.821 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.556 HG22 HG21 ' A' ' 17' ' ' THR . 15.2 pt -106.46 -7.7 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 75.23 111.123 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 71.57 56.98 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 74.3 110.862 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -116.26 -33.06 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 75.23 110.887 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.6 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.5 pp -149.48 -178.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.124 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.6 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.4 OUTLIER -146.08 174.29 11.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.846 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.29 131.29 23.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 63.14 110.871 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.43 104.61 12.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 53.12 110.906 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.74 101.55 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 70.13 110.852 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.556 ' SG ' HD11 ' A' ' 78' ' ' LEU . 17.5 m -117.35 82.17 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 62.44 110.903 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.418 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 69.67 -139.68 32.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 71.23 112.469 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.418 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 54.3 Cg_endo -69.73 0.72 5.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.248 . . . . 50.02 112.332 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.6 mt -114.01 175.81 5.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 72.01 110.913 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.4 m -157.54 115.78 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 65.34 111.168 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.782 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 64.4 m-85 -97.49 174.13 6.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 65.3 110.837 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -150.7 123.09 8.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 75.33 110.898 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.421 ' HB2' ' HD2' ' A' ' 127' ' ' PRO . 5.3 p90 -121.44 158.32 53.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.641 0.734 . . . . 73.23 110.979 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 126' ' ' TYR . 54.0 Cg_endo -69.76 105.93 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.657 2.238 . . . . 74.14 112.331 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 74.32 112.523 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.838 0.352 . . . . 72.41 111.158 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -64.3 174.15 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 75.04 110.826 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.712 HD13 ' HB3' ' A' ' 42' ' ' LEU . 2.4 mp -121.61 -30.83 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.35 111.126 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.572 HG23 ' HB2' ' A' ' 39' ' ' ASP . 3.6 m -154.26 101.14 2.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.722 . . . . 72.1 111.122 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.8 Cg_endo -69.78 177.97 5.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.638 2.226 . . . . 72.31 112.344 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -75.77 158.56 32.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 63.21 110.919 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.869 HD11 ' HB3' ' A' ' 31' ' ' MET . 13.3 pt -112.61 125.5 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 71.55 111.119 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.48 -169.07 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 72.02 111.15 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.855 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -64.19 -19.94 65.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 75.52 110.897 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -78.99 -29.4 43.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 74.53 110.862 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -96.21 -33.83 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 63.54 110.853 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.508 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 25.3 t80 -71.5 -32.62 68.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 72.21 110.875 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -69.73 -9.14 53.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 72.43 110.926 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 p -76.7 -7.3 55.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 51.2 111.114 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.434 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.5 mp -108.46 130.52 22.66 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.629 0.728 . . . . 74.41 111.16 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 149.21 66.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.252 . . . . 74.01 112.31 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.39 -21.67 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 70.34 110.895 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -65.62 -23.4 66.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 71.44 110.92 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -97.96 -40.7 8.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 75.21 110.92 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.508 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 19.2 mt -64.86 -54.8 25.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 61.14 110.93 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.24 -88.61 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 61.11 112.522 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -116.78 19.36 14.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 73.43 110.846 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.42 160.1 14.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 64.4 110.934 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.22 165.71 26.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.12 111.125 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.855 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -51.16 -41.99 60.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 64.4 110.941 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -39.7 91.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 62.52 110.885 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.2 mtt -62.62 -44.03 97.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.873 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.869 ' HB3' HD11 ' A' ' 10' ' ' ILE . 4.6 mtt -75.4 -37.27 60.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 62.43 110.862 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -56.12 -41.85 75.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 65.43 110.902 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.636 ' OE1' HD22 ' A' ' 97' ' ' LEU . 9.6 pt-20 -79.4 -31.2 42.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.894 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.492 ' HA ' HD21 ' A' ' 93' ' ' LEU . 33.1 mt -68.15 -46.83 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 64.31 111.097 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 31' ' ' MET . 3.8 t -74.35 -28.49 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 73.05 111.14 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -72.44 -53.65 11.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 73.35 110.879 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -61.52 -51.94 66.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 74.35 110.903 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 8.4 ptm -53.71 -41.29 66.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 55.14 110.897 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.572 ' HB2' HG23 ' A' ' 7' ' ' VAL . 38.7 t0 -68.43 -28.88 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 51.33 110.882 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -66.59 -45.4 79.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 65.54 110.849 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.631 ' HD2' HD11 ' A' ' 89' ' ' ILE . 2.7 t80 -67.79 -43.63 79.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.873 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.712 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -71.77 -26.39 62.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.893 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.594 ' HA ' HD11 ' A' ' 6' ' ' ILE . 3.6 tpt -71.46 -42.05 68.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.857 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.428 ' O ' HD12 ' A' ' 48' ' ' ILE . 7.7 ptpp? -72.1 -37.74 69.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 65.53 110.91 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HD3' HD23 ' A' ' 82' ' ' LEU . 1.4 tttt -63.22 -53.51 51.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 62.43 110.899 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 t -61.47 -28.11 69.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 64.3 110.873 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -30.13 66.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 51.22 110.908 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.428 HD12 ' O ' ' A' ' 44' ' ' LYS . 6.5 mt -78.98 -33.07 15.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 62.04 111.119 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 49' ' ' LEU . 6.1 mt -63.34 -16.98 62.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 74.45 110.89 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.67 -28.35 4.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 71.12 112.485 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -174.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 75.22 110.891 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -121.36 -171.93 2.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 65.35 111.138 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.82 -5.77 47.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 53.43 110.873 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -88.69 -39.56 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 72.3 110.908 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -84.28 -27.61 27.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 73.33 110.88 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -50.25 129.1 20.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 64.45 110.937 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.0 p -113.35 -174.0 2.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 53.22 111.161 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.5 ptt85 -59.49 -46.31 89.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.911 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.588 ' O ' HG13 ' A' ' 63' ' ' VAL . 43.1 t -62.97 -27.31 69.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 61.24 110.834 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -73.91 -31.92 63.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 53.53 110.869 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -43.95 43.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 75.04 110.847 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -64.14 -38.28 90.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 64.04 110.898 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 59' ' ' SER . 34.1 m -72.51 -38.62 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 54.22 111.126 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -44.14 97.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.45 110.919 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -32.19 70.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.88 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -75.68 -39.51 57.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 74.42 110.917 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -39.86 93.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 73.54 110.951 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -24.87 55.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.85 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -43.03 66.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 70.24 110.917 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.904 HD22 HG23 ' A' ' 85' ' ' ILE . 1.5 pp -75.57 -33.9 60.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 52.01 110.913 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.01 -33.64 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.919 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.02 -17.52 31.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.848 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.409 ' HB3' HD11 ' A' ' 122' ' ' LEU . 0.9 OUTLIER -84.71 -16.19 42.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 71.42 110.903 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.707 ' HB2' ' HZ ' ' A' ' 124' ' ' PHE . . . -72.4 -0.36 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 62.22 111.135 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 48.32 36.44 6.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 73.3 110.856 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.52 170.51 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.911 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -108.87 92.47 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 63.04 110.858 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.516 HD21 ' CD1' ' A' ' 124' ' ' PHE . 5.6 mp -50.64 162.59 0.54 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.709 . . . . 75.42 110.936 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -42.98 2.87 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 62.44 112.306 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.776 HG21 ' CG ' ' A' ' 126' ' ' TYR . 5.0 t -96.48 164.65 12.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 75.03 111.137 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 81' ' ' THR . 19.0 m -121.39 -8.33 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 55.42 111.101 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.434 HD23 ' HD3' ' A' ' 45' ' ' LYS . 7.7 mt -107.59 76.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 73.04 110.916 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.543 ' HD2' HG23 ' A' ' 80' ' ' THR . 0.2 OUTLIER -135.34 -175.69 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 64.04 110.901 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.676 ' HD2' HD23 ' A' ' 42' ' ' LEU . 3.8 p90 -155.58 165.74 35.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 60.13 110.858 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.904 HG23 HD22 ' A' ' 70' ' ' LEU . 10.1 pt -98.44 151.11 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 73.21 111.101 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.77 -24.24 59.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 64.41 110.912 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.692 ' CG2' HD12 ' A' ' 85' ' ' ILE . 11.0 t -75.07 -8.57 56.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 70.33 111.14 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -105.18 -16.84 14.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 71.3 110.845 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.631 HD11 ' HD2' ' A' ' 41' ' ' PHE . 19.0 mm -106.28 -33.64 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 70.23 111.159 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.506 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 9.4 ttp180 -54.08 -59.02 11.01 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.737 . . . . 71.32 110.917 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.79 4.98 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 71.13 112.326 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -105.41 -24.31 12.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 65.14 110.883 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.492 HD21 ' HA ' ' A' ' 34' ' ' ILE . 83.3 mt -70.12 -108.65 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 60.33 110.918 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.427 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 1.6 mt-30 -135.22 136.18 41.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 61.54 110.884 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.68 -21.11 66.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 65.11 110.855 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -101.3 -4.36 27.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.02 110.907 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.636 HD22 ' OE1' ' A' ' 33' ' ' GLU . 18.5 tp -65.63 -23.39 66.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 63.5 110.918 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 64.08 163.62 0.12 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.557 0.694 . . . . 72.41 110.897 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 70.19 1.61 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.699 2.266 . . . . 65.22 112.338 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.9 p -98.4 -17.42 18.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 64.42 110.847 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.91 -51.16 54.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 72.45 110.908 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.12 -22.61 11.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 70.25 111.098 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.13 -22.05 17.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 71.23 110.902 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.31 -19.71 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 70.14 111.101 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.636 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 13.9 mm -46.84 -51.75 36.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 45.23 111.106 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.77 -25.91 28.06 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 63.02 112.319 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.8 m -80.7 -19.68 44.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 75.2 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.641 HD11 HG22 ' A' ' 35' ' ' VAL . 3.3 mm? -92.14 -32.97 14.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 72.33 110.892 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.462 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 12.0 ptm180 -85.73 -27.78 25.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 74.14 110.877 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -56.03 -21.22 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 75.02 110.849 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.578 HD12 ' CD ' ' A' ' 113' ' ' ARG . 14.1 pt -99.78 -13.08 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 71.34 111.13 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.28 56.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 64.14 110.9 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.578 ' CD ' HD12 ' A' ' 111' ' ' ILE . 21.6 mtp85 -120.98 -33.14 3.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 72.34 110.865 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.584 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.6 pp -140.6 177.94 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.53 111.134 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.584 ' N ' HD12 ' A' ' 114' ' ' ILE . 29.0 mtp180 -144.55 175.62 10.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 60.33 110.84 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.593 ' OE1' HG23 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -148.09 129.41 14.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 64.02 110.895 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -113.13 107.08 15.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 51.21 110.883 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -80.5 102.34 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.34 110.917 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 4.8 m -125.25 94.56 4.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.898 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 59.62 -149.26 40.5 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.758 -0.734 . . . . 71.32 112.505 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 39.97 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.247 . . . . 63.14 112.362 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.421 ' H ' ' C ' ' A' ' 120' ' ' GLY . 43.8 mt -148.73 168.05 23.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 55.12 110.896 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.14 111.38 3.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 74.24 111.176 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.707 ' HZ ' ' HB2' ' A' ' 74' ' ' ALA . 23.2 m-85 -95.18 166.2 12.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 71.31 110.881 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -150.93 117.7 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 73.34 110.89 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.776 ' CG ' HG21 ' A' ' 80' ' ' THR . 1.4 p90 -123.27 157.04 62.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.66 0.743 . . . . 73.33 110.912 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . 0.431 ' HB3' HG22 ' A' ' 6' ' ' ILE . 53.1 Cg_endo -69.77 88.93 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.639 2.226 . . . . 74.35 112.328 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 74.11 112.487 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.503 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.816 0.341 . . . . 74.21 111.116 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -88.59 167.36 13.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 63.52 110.818 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.689 HD13 ' HB3' ' A' ' 42' ' ' LEU . 2.5 mp -105.38 -30.33 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 74.51 111.1 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 7' ' ' VAL . 21.7 m -149.39 116.64 3.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.731 . . . . 73.24 111.153 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -167.58 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.665 2.243 . . . . 71.01 112.349 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -92.98 162.9 13.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 72.42 110.916 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.815 HD11 ' HB3' ' A' ' 31' ' ' MET . 18.1 pt -112.39 133.12 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.104 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.494 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -105.41 -170.96 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 74.13 111.123 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.663 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.2 t70 -58.24 -21.69 49.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 75.25 110.893 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.96 -28.9 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 75.33 110.887 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.567 ' O ' HG22 ' A' ' 17' ' ' THR . 3.6 mm-40 -101.64 -45.78 5.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 72.53 110.868 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -55.28 -35.16 64.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 73.53 110.866 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -15.18 62.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.911 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -77.39 -7.73 56.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 61.44 111.174 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.34 124.52 35.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.707 . . . . 71.43 111.086 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 149.39 66.97 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.634 2.223 . . . . 73.32 112.343 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -54.98 -26.35 36.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 75.03 110.885 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -62.79 -20.04 64.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.903 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -105.32 -35.24 7.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 65.43 110.914 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 26' ' ' LEU . 79.5 mt -60.58 -59.6 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.914 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.82 72.05 0.72 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 33.15 112.504 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 mmt-85 67.31 11.43 8.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 73.04 110.891 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' ' 23' ' ' LEU . 4.2 mt -78.67 166.58 22.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.946 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.8 158.99 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.03 111.128 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.663 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -52.78 -41.4 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.906 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.42 -38.15 83.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 70.11 110.919 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.436 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -63.43 -48.67 76.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 73.05 110.897 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.815 ' HB3' HD11 ' A' ' 10' ' ' ILE . 79.9 mtp -74.47 -32.67 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 73.51 110.92 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 36' ' ' SER . 3.3 t30 -58.6 -45.64 88.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.895 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.557 ' OE1' HD22 ' A' ' 97' ' ' LEU . 8.5 pt-20 -78.22 -27.96 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 64.05 110.879 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.568 ' O ' ' HE3' ' A' ' 38' ' ' MET . 30.0 mt -71.65 -44.06 70.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 61.14 111.16 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.907 HG22 HD11 ' A' ' 108' ' ' LEU . 15.9 t -74.1 -35.26 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 63.32 111.156 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 32' ' ' ASN . 3.1 p -71.23 -36.66 71.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.884 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.89 -49.78 19.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.879 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.568 ' HE3' ' O ' ' A' ' 34' ' ' ILE . 12.7 ptp -55.2 -42.87 73.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 72.43 110.871 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.423 ' HB3' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -70.43 -30.64 67.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 62.35 110.887 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -64.02 -49.33 72.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 72.02 110.881 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.546 ' HD2' HD11 ' A' ' 89' ' ' ILE . 9.2 t80 -66.05 -42.94 88.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.892 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.697 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -70.19 -27.7 64.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 61.44 110.91 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.671 ' HA ' HD11 ' A' ' 6' ' ' ILE . 43.4 ttp -70.39 -42.96 71.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.89 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.598 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -70.78 -35.79 72.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 72.04 110.899 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HG2' ' CE2' ' A' ' 67' ' ' TRP . 1.4 tppp? -64.38 -52.61 57.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 73.32 110.915 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 t -62.56 -26.2 68.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 74.42 110.882 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.38 -29.89 62.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.892 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 44' ' ' LYS . 5.4 mt -80.03 -32.06 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 43.4 111.177 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.429 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.8 mt -61.48 -21.1 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 73.44 110.939 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -108.95 -28.64 4.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 54.45 112.495 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -61.99 -174.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 54.44 110.9 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.545 HG21 ' HE3' ' A' ' 54' ' ' LYS . 13.0 t -123.59 168.0 13.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.136 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -56.54 -26.29 54.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 64.13 110.842 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.545 ' HE3' HG21 ' A' ' 52' ' ' THR . 32.1 mtmt -71.45 -38.11 71.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 54.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -84.57 -30.42 25.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.944 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.79 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -50.94 129.4 23.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.42 110.956 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.7 p -112.2 -173.76 2.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 61.14 111.138 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -58.49 -55.98 27.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 74.13 110.87 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.597 ' O ' HG13 ' A' ' 63' ' ' VAL . 20.4 m -53.87 -28.94 39.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 74.4 110.887 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -73.94 -31.34 62.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 74.3 110.858 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.79 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -75.92 -42.56 48.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 51.32 110.854 -179.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.89 -38.59 89.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 71.31 110.878 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 59' ' ' SER . 35.0 m -71.46 -40.41 72.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 74.02 111.164 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.425 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -60.64 -44.79 95.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 61.22 110.884 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -38.46 89.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 74.2 110.896 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -73.16 -35.65 66.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.871 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.416 ' CE2' ' HG2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -62.57 -47.29 84.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 71.52 110.951 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -23.87 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 51.43 110.856 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -70.14 -45.23 67.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 72.01 110.89 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.956 HD22 HG23 ' A' ' 85' ' ' ILE . 2.4 pp -74.68 -29.97 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 64.32 110.885 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.506 ' N ' HD12 ' A' ' 70' ' ' LEU . 31.8 tt0 -68.58 -35.85 77.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.867 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.6 ptm -87.99 -15.1 37.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.874 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.54 -14.89 36.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 71.21 110.883 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.649 ' HB2' ' HZ ' ' A' ' 124' ' ' PHE . . . -72.25 -2.16 17.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 74.33 111.09 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 47.25 38.65 7.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 54.34 110.915 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.5 tttp 179.55 172.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 63.15 110.906 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.08 90.41 3.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 70.22 110.901 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.58 HD21 ' CD1' ' A' ' 124' ' ' PHE . 6.2 mp -51.57 160.99 0.9 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.619 0.723 . . . . 72.42 110.918 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -47.14 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.668 2.246 . . . . 65.25 112.361 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.452 HG21 ' CB ' ' A' ' 126' ' ' TYR . 1.5 m -88.14 157.82 18.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 71.3 111.167 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.4 m -115.38 -24.08 8.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 54.41 111.13 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.446 ' HB3' HD11 ' A' ' 42' ' ' LEU . 9.2 mt -95.63 76.18 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 72.02 110.924 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.47 -173.76 3.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.854 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.697 ' HD2' HD23 ' A' ' 42' ' ' LEU . 4.4 p90 -158.12 166.49 32.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 73.13 110.877 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.956 HG23 HD22 ' A' ' 70' ' ' LEU . 35.7 pt -101.62 142.38 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.44 111.169 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.31 -25.44 59.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 73.41 110.935 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -6.58 48.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 64.42 111.109 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -102.51 -16.83 16.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.875 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.546 HD11 ' HD2' ' A' ' 41' ' ' PHE . 13.1 mm -109.69 -38.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 71.12 111.131 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.525 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 3.5 ttp180 -49.07 -58.78 7.75 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.56 0.695 . . . . 74.02 110.843 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.8 4.27 2.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.624 2.216 . . . . 42.11 112.316 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.12 -31.87 8.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 73.5 110.882 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.443 HD13 HD23 ' A' ' 97' ' ' LEU . 81.0 mt -62.93 -111.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 63.42 110.926 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.435 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 1.4 mt-30 -138.73 131.55 29.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 75.35 110.921 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -60.28 -21.61 62.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 71.1 110.886 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -101.75 -2.69 29.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 70.53 110.841 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.557 HD22 ' OE1' ' A' ' 33' ' ' GLU . 18.0 tp -65.11 -19.48 66.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 43.14 110.904 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.472 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 8.8 mmt180 65.69 157.94 0.13 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.619 0.723 . . . . 72.11 110.836 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 54.1 Cg_endo -69.72 69.73 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.685 2.256 . . . . 54.41 112.36 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 m -97.94 -15.07 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 75.32 110.813 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.563 ' CZ ' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -51.04 -51.17 55.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 72.22 110.889 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.68 -21.73 19.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 74.11 111.108 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.89 -18.88 19.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 71.2 110.87 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.65 -17.64 24.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 50.43 111.093 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.622 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.6 mm -45.53 -52.9 21.14 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 64.52 111.138 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.8 Cg_endo -69.76 -30.7 21.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.693 2.262 . . . . 65.44 112.334 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.465 ' HB2' ' HE3' ' A' ' 31' ' ' MET . 7.7 m -73.91 -16.87 61.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 63.1 110.864 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.907 HD11 HG22 ' A' ' 35' ' ' VAL . 3.4 mm? -92.65 -36.34 13.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 75.11 110.957 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.418 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 7.5 ptm180 -86.24 -23.82 26.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 54.23 110.869 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -56.08 -24.03 37.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.04 110.894 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.464 HG22 HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -103.83 -2.72 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.44 111.112 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 68.4 56.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.35 110.861 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -115.83 -31.07 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 73.13 110.915 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.531 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.7 pp -148.49 -179.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 62.11 111.129 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.531 ' N ' HD12 ' A' ' 114' ' ' ILE . 36.2 mtp180 -141.86 174.67 10.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 75.15 110.914 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.95 126.7 13.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 64.31 110.846 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -113.05 104.7 12.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 73.22 110.92 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.32 103.56 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 72.1 110.892 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 10.0 m -119.81 81.63 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 63.21 110.832 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.41 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 69.23 -140.83 34.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 64.02 112.494 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.41 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 53.6 Cg_endo -69.75 2.47 3.49 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 71.13 112.375 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -116.66 176.44 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.903 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.5 m -161.59 120.32 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 52.14 111.123 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.649 ' HZ ' ' HB2' ' A' ' 74' ' ' ALA . 14.5 m-85 -96.67 167.85 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 63.22 110.903 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -151.48 117.17 5.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 64.34 110.901 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.452 ' CB ' HG21 ' A' ' 80' ' ' THR . 0.3 OUTLIER -121.16 145.68 42.57 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.721 0.772 . . . . 74.51 110.888 -179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . 0.682 ' HG3' HG21 ' A' ' 6' ' ' ILE . 53.4 Cg_endo -69.78 89.95 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.269 . . . . 71.14 112.318 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 73.43 112.47 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.544 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.865 0.364 . . . . 72.24 111.082 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.58 145.42 28.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 71.12 110.87 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.692 HD13 ' HB3' ' A' ' 42' ' ' LEU . 2.8 mp -94.43 -34.7 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 72.52 111.16 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 7' ' ' VAL . 10.7 m -152.47 100.55 2.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.613 0.72 . . . . 74.44 111.15 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.9 Cg_endo -69.75 169.51 18.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.23 . . . . 71.42 112.334 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -63.33 165.9 7.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 62.31 110.959 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.831 HD11 ' HB3' ' A' ' 31' ' ' MET . 13.1 pt -119.06 121.99 68.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 75.5 111.149 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.75 -171.36 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 73.1 111.117 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.796 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -60.84 -19.64 60.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.884 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -77.86 -28.81 50.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.03 110.871 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.614 ' O ' HG22 ' A' ' 17' ' ' THR . 26.8 mm-40 -98.24 -46.82 5.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 74.51 110.885 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.611 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 21.8 t80 -56.84 -28.89 62.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 71.23 110.878 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -71.59 -8.69 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.935 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 14' ' ' GLU . 1.8 t -76.79 -10.55 59.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 61.33 111.115 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.412 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.2 mp -105.51 130.27 23.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.613 0.721 . . . . 75.12 111.081 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.39 62.81 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.67 2.247 . . . . 64.54 112.373 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -56.33 -24.16 41.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.911 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -63.0 -23.66 67.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 72.22 110.912 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -97.72 -41.0 8.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 74.05 110.927 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.611 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 19.8 mt -64.33 -55.23 22.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 54.53 110.962 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.99 -93.08 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.75 . . . . 33.53 112.459 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -109.61 24.65 12.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 63.21 110.869 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.33 170.96 8.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.897 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -153.31 161.34 42.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.55 111.189 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.796 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -51.14 -42.45 60.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 61.33 110.926 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -41.22 92.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 75.45 110.936 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.8 mtt -62.78 -44.62 95.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 71.32 110.908 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.831 ' HB3' HD11 ' A' ' 10' ' ' ILE . 4.3 mtm -74.89 -33.12 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 71.2 110.901 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -59.46 -41.94 90.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 71.01 110.894 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.747 ' OE2' HD13 ' A' ' 97' ' ' LEU . 10.9 pt-20 -80.28 -29.7 38.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.913 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.532 HG23 ' CZ ' ' A' ' 101' ' ' PHE . 46.9 mt -71.43 -45.79 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 75.35 111.112 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 31' ' ' MET . 20.9 t -74.77 -29.33 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 61.01 111.157 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -73.31 -39.38 65.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.32 110.864 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.562 ' HG3' HD23 ' A' ' 93' ' ' LEU . 0.9 OUTLIER -72.47 -48.62 39.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 65.42 110.916 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.519 ' HE3' ' O ' ' A' ' 34' ' ' ILE . 12.5 ptp -56.66 -42.15 78.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 70.23 110.867 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 38' ' ' MET . 0.0 OUTLIER -68.92 -31.35 70.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.889 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -61.87 -56.38 19.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -47.59 85.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 71.15 110.886 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.771 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -63.93 -29.65 70.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 74.32 110.901 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.638 ' HA ' HD11 ' A' ' 6' ' ' ILE . 12.3 tpt -67.84 -37.94 82.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 63.52 110.859 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.507 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -71.33 -36.51 71.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.892 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.413 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 56.8 tttp -64.66 -52.36 57.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 75.54 110.855 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.8 p -62.24 -27.52 69.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.843 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -28.84 62.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 74.22 110.919 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 44' ' ' LYS . 6.9 mt -80.43 -31.74 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 74.44 111.129 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.569 HD11 HD21 ' A' ' 82' ' ' LEU . 5.6 mt -62.86 -22.43 66.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 61.03 110.927 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -104.25 -36.72 3.05 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 73.14 112.455 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 169.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.918 0.39 . . . . 73.54 110.84 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.21 160.53 15.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 50.43 111.148 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -55.9 -25.21 41.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 72.51 110.855 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -75.79 -37.31 59.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 72.11 110.849 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -82.43 -30.18 30.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 62.31 110.957 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.773 HD21 ' HD2' ' A' ' 61' ' ' ARG . 0.7 OUTLIER -51.42 134.29 28.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 72.14 110.924 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.7 t -114.37 175.04 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 62.43 111.158 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -53.32 -49.37 67.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.924 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.588 ' O ' HG13 ' A' ' 63' ' ' VAL . 64.7 m -52.7 -33.51 48.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.898 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -73.74 -31.93 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 74.45 110.925 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.773 ' HD2' HD21 ' A' ' 56' ' ' LEU . 1.2 ttt180 -75.84 -41.55 52.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 53.42 110.898 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.43 -36.93 84.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.861 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 59' ' ' SER . 35.1 m -73.66 -38.48 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 62.21 111.139 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.513 HD12 ' CE3' ' A' ' 67' ' ' TRP . 0.6 OUTLIER -62.0 -47.56 84.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 70.43 110.898 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -33.45 75.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 55.55 110.866 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -74.11 -40.32 62.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.857 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.513 ' CE3' HD12 ' A' ' 64' ' ' LEU . 18.9 m0 -62.06 -48.11 81.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 64.22 110.917 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.83 -23.91 59.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 70.35 110.854 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -69.51 -43.09 73.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.34 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.753 HD22 ' CG2' ' A' ' 85' ' ' ILE . 3.3 pp -76.36 -34.07 58.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 71.51 110.908 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.637 ' N ' HD12 ' A' ' 70' ' ' LEU . 6.7 pt-20 -74.28 -27.18 60.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 65.24 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.1 ptm -88.75 -23.34 22.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 63.32 110.863 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.546 ' HE2' HD11 ' A' ' 122' ' ' LEU . 0.7 OUTLIER -89.34 -12.18 41.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 64.12 110.873 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.67 -0.13 12.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 71.14 111.113 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 48.52 55.01 9.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 71.42 110.884 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.78 124.84 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 64.2 110.9 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -80.72 91.1 5.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 52.5 110.86 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.505 HD21 ' CD1' ' A' ' 124' ' ' PHE . 5.1 mp -65.09 150.73 95.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.616 0.722 . . . . 74.01 110.887 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -48.59 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 71.51 112.384 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.481 HG21 ' CB ' ' A' ' 126' ' ' TYR . 0.2 OUTLIER -76.46 154.84 34.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 63.25 111.138 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.1 m -118.92 -17.91 8.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 72.11 111.156 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.569 HD21 HD11 ' A' ' 49' ' ' LEU . 24.9 mt -100.79 77.29 1.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 45.15 110.893 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.93 -173.84 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.871 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.771 ' HD2' HD23 ' A' ' 42' ' ' LEU . 4.2 p90 -155.05 170.26 22.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.11 110.817 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.753 ' CG2' HD22 ' A' ' 70' ' ' LEU . 42.5 pt -104.39 147.7 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 75.22 111.083 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -29.54 60.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 75.54 110.903 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -6.44 49.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 72.45 111.182 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -101.35 -6.03 24.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 73.33 110.825 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.477 HG13 ' CE1' ' A' ' 84' ' ' PHE . 11.1 mm -123.73 -40.98 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 73.23 111.145 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.508 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 7.9 ttp180 -48.3 -59.73 5.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 74.43 110.852 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.4 Cg_endo -69.76 12.36 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 74.25 112.344 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.431 ' H ' ' C ' ' A' ' 90' ' ' ARG . 0.1 OUTLIER -118.7 -25.85 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 55.23 110.891 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.562 HD23 ' HG3' ' A' ' 37' ' ' LYS . 40.9 mt -65.21 -116.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.443 . . . . 54.42 110.91 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.439 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -134.31 141.66 47.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 75.15 110.872 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -68.91 -25.11 64.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 70.11 110.854 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -100.46 -3.73 30.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 73.41 110.83 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.747 HD13 ' OE2' ' A' ' 33' ' ' GLU . 14.8 tp -65.98 -19.31 65.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 64.43 110.917 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.417 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 23.3 mmm-85 63.51 155.62 0.12 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.709 . . . . 74.34 110.852 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.5 Cg_endo -69.75 70.9 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 72.41 112.302 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.0 p -96.95 -12.8 22.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 70.02 110.893 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.532 ' CZ ' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -51.62 -51.5 55.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 65.22 110.873 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.03 -21.57 12.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 61.23 111.09 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.02 -20.84 17.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 72.24 110.915 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.28 -19.95 29.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 31.31 111.067 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.649 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 12.8 mm -48.87 -51.08 57.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.59 0.709 . . . . 45.44 111.113 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.0 Cg_endo -69.72 -15.93 37.48 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.75 2.3 . . . . 75.42 112.329 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 13.1 m -94.99 -17.32 22.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 60.14 110.936 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.654 HD11 HG22 ' A' ' 35' ' ' VAL . 3.4 mm? -95.25 -22.32 17.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 63.33 110.929 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.459 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 13.0 ptp180 -87.55 -31.56 19.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.845 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -56.4 -21.16 23.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.85 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.585 ' CG2' HG21 ' A' ' 17' ' ' THR . 5.7 pt -101.1 -9.15 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 75.45 111.144 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 69.69 14.39 8.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 72.15 110.902 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.543 ' HB2' HD12 ' A' ' 111' ' ' ILE . 19.7 tpp180 -69.21 -31.58 70.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 71.21 110.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.528 HD12 ' N ' ' A' ' 115' ' ' ARG . 2.4 pp -150.27 -178.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 64.43 111.132 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.528 ' N ' HD12 ' A' ' 114' ' ' ILE . 3.9 mtp85 -144.33 175.22 10.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 75.41 110.877 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.492 ' CD ' HG23 ' A' ' 105' ' ' ILE . 1.2 pm0 -149.55 127.28 11.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.42 110.86 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -113.23 103.94 11.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 63.04 110.909 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.71 102.11 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 72.25 110.856 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 4.9 m -117.18 81.83 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.88 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 66.95 -140.17 37.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 51.24 112.472 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 3.14 2.92 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.697 2.265 . . . . 75.02 112.368 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.546 HD11 ' HE2' ' A' ' 73' ' ' LYS . 8.6 mt -117.0 175.68 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.888 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.6 m -161.23 118.65 2.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 74.14 111.139 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.505 ' CD1' HD21 ' A' ' 78' ' ' LEU . 14.5 m-85 -96.4 168.51 10.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 72.24 110.841 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.411 ' CD2' ' HB3' ' A' ' 116' ' ' GLU . 43.5 m-85 -151.28 118.4 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 73.52 110.941 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.481 ' CB ' HG21 ' A' ' 80' ' ' THR . 0.5 OUTLIER -124.34 149.35 60.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.65 0.738 . . . . 73.42 110.925 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . 0.647 ' HG3' HG21 ' A' ' 6' ' ' ILE . 54.4 Cg_endo -69.73 95.43 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 62.53 112.339 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 72.03 112.491 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.53 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.83 0.348 . . . . 75.5 111.107 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.43 163.3 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 71.52 110.856 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.477 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -118.77 -20.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.03 111.162 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.598 HG23 ' HB2' ' A' ' 39' ' ' ASP . 6.1 m -154.28 99.7 2.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.643 0.735 . . . . 45.23 111.101 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 164.17 35.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.24 . . . . 74.22 112.316 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -69.11 170.81 9.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 64.5 110.882 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.843 HD11 ' HB3' ' A' ' 31' ' ' MET . 10.1 pt -121.89 114.5 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 70.33 111.114 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.72 -169.19 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 53.54 111.122 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.891 ' HA ' HD11 ' A' ' 28' ' ' LEU . 25.6 t0 -61.6 -21.94 64.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 71.04 110.855 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -84.2 -26.03 29.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.893 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.609 ' O ' HG22 ' A' ' 17' ' ' THR . 26.2 mm-40 -95.79 -23.58 16.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 65.14 110.909 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.597 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 16.1 t80 -89.01 -25.38 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 71.44 110.869 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -67.37 -9.51 42.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 61.13 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 14' ' ' GLU . 12.4 t -76.86 -19.73 57.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 65.04 111.173 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.554 ' O ' HD11 ' A' ' 23' ' ' LEU . 2.5 mp -103.92 113.66 65.2 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.592 0.71 . . . . 60.44 111.115 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 158.97 55.16 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 70.42 112.349 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -20.8 29.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 65.42 110.896 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -61.8 -20.24 63.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.978 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -111.01 -36.28 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.938 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.597 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 9.3 mt -71.11 -51.87 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.857 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.75 -92.82 0.11 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 74.11 112.474 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -106.89 24.04 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 75.44 110.839 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.432 HD11 ' N ' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -101.74 170.8 7.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 74.52 110.949 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.08 164.08 39.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 43.12 111.166 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.891 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -52.6 -43.26 65.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 71.35 110.945 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.84 -39.28 84.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 71.43 110.845 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.406 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -61.36 -47.52 85.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.878 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.843 ' HB3' HD11 ' A' ' 10' ' ' ILE . 4.9 mtm -75.2 -33.85 61.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 73.12 110.88 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -56.59 -42.04 78.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 73.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.594 ' OE1' HD22 ' A' ' 97' ' ' LEU . 7.1 pt-20 -81.22 -34.24 32.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.901 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.563 ' HA ' HD21 ' A' ' 93' ' ' LEU . 38.0 mt -64.01 -46.39 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 70.21 111.124 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.723 HG22 HD11 ' A' ' 108' ' ' LEU . 15.6 t -75.74 -33.43 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 75.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -67.75 -53.35 27.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.876 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -64.87 -50.75 65.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 55.25 110.921 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.513 ' HA ' HD12 ' A' ' 89' ' ' ILE . 28.5 ttt -52.87 -43.25 65.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.851 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.598 ' HB2' HG23 ' A' ' 7' ' ' VAL . 52.0 t0 -65.96 -29.54 69.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 63.42 110.858 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.12 -52.78 53.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.842 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.424 ' HD2' HD13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -63.24 -43.42 98.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 73.34 110.876 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -68.3 -29.1 67.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 75.31 110.919 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.477 ' N ' HD11 ' A' ' 6' ' ' ILE . 56.5 ttp -69.7 -38.39 76.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 64.32 110.855 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.684 ' O ' HD12 ' A' ' 48' ' ' ILE . 9.1 ptmt -72.24 -38.24 68.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.874 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.443 ' HE3' HD23 ' A' ' 82' ' ' LEU . 19.9 tttp -63.26 -51.71 65.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 54.24 110.916 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.5 p -63.21 -27.79 69.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 64.21 110.846 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -30.03 65.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 72.53 110.921 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 44' ' ' LYS . 3.9 mt -80.19 -32.14 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 64.32 111.16 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.474 ' CD1' HD21 ' A' ' 82' ' ' LEU . 5.8 mt -61.38 -21.61 64.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 55.44 110.916 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -106.46 -33.96 3.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 53.0 112.482 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -174.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 73.21 110.924 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.3 p -129.8 177.74 7.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 41.22 111.155 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.46 -15.08 62.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.52 110.881 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -50.11 17.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.905 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 -84.78 -27.69 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 73.3 110.884 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.715 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.2 tt -56.79 127.92 34.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.918 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.4 -173.69 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 75.1 111.176 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -60.2 -54.3 47.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 63.04 110.919 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.685 ' O ' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -53.5 -30.59 42.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 52.44 110.883 -179.836 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.617 ' OD1' HD11 ' A' ' 48' ' ' ILE . 55.2 m-20 -75.86 -30.7 58.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 70.22 110.926 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.715 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -75.82 -34.6 60.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 64.33 110.856 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 59' ' ' SER . 15.8 pt-20 -75.47 -36.3 60.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.863 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 59' ' ' SER . 27.7 m -70.23 -41.55 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 65.51 111.136 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.834 HD12 ' N ' ' A' ' 65' ' ' ASP . 4.4 pp -71.3 -33.53 69.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.877 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.834 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -69.82 -30.94 68.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.871 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -78.32 -44.86 24.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 72.52 110.863 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -41.26 85.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.927 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -74.11 -30.36 62.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 72.31 110.866 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.68 -41.58 98.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 72.13 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.14 -34.73 56.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.889 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -57.58 -45.67 84.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 72.04 110.87 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -36.34 34.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 72.51 110.879 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -18.47 42.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 52.21 110.881 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.5 1.17 14.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 73.3 111.117 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.6 tpp85 49.15 31.91 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.877 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.4 mttt 179.81 136.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 64.34 110.876 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 85.7 mtm-85 -75.35 101.54 4.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 74.25 110.878 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.504 HD11 ' SG ' ' A' ' 119' ' ' CYS . 2.0 mp -50.52 162.37 0.55 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.573 0.702 . . . . 55.05 110.928 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -7.22 20.52 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.712 2.275 . . . . 74.01 112.349 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.649 HG21 ' HB2' ' A' ' 126' ' ' TYR . 1.3 m -132.3 155.44 48.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 74.21 111.141 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.4 m -107.42 -23.7 12.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 74.21 111.139 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.474 HD21 ' CD1' ' A' ' 49' ' ' LEU . 15.5 mt -104.88 65.53 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 74.13 110.934 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -119.52 153.97 34.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.912 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -125.82 177.72 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 71.25 110.874 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.6 pt -117.13 148.05 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 72.35 111.13 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.49 -25.1 67.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -7.26 51.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 52.21 111.127 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -109.64 -2.02 17.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 70.54 110.871 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 38' ' ' MET . 16.8 mm -123.84 -40.9 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 70.02 111.161 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.593 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -53.55 -55.06 38.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.622 0.725 . . . . 73.55 110.841 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.9 Cg_endo -69.73 1.14 4.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.66 2.24 . . . . 51.12 112.338 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.98 -32.01 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 73.31 110.88 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.563 HD21 ' HA ' ' A' ' 34' ' ' ILE . 87.2 mt -62.15 -104.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 70.25 110.915 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.405 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 1.8 mt-30 -139.94 137.13 34.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.916 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -67.05 -20.75 65.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 65.34 110.875 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.25 -3.63 28.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.834 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.594 HD22 ' OE1' ' A' ' 33' ' ' GLU . 16.7 tp -65.06 -21.71 66.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 70.11 110.943 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? 65.14 164.18 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 73.22 110.907 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 71.67 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 64.35 112.37 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 p -97.74 -22.49 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 75.41 110.871 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -51.37 -49.54 61.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 73.32 110.887 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.33 -22.5 12.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 62.13 111.082 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.46 -20.96 18.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 64.13 110.889 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.432 ' N ' HD11 ' A' ' 26' ' ' LEU . . . -90.88 -13.44 33.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 63.43 111.049 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.633 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.5 mm -45.6 -52.69 22.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 73.41 111.117 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.2 Cg_endo -69.71 -28.83 25.01 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.649 2.233 . . . . 73.51 112.399 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.6 m -77.4 -17.76 57.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.86 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.723 HD11 HG22 ' A' ' 35' ' ' VAL . 2.1 mm? -88.56 -37.0 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.876 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -82.35 -30.28 30.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 71.03 110.911 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -56.92 -21.47 30.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 72.55 110.857 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.58 HG22 HG21 ' A' ' 17' ' ' THR . 13.1 pt -101.09 -9.79 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 74.44 111.093 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 72.03 57.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.1 110.902 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.526 ' CD ' HD12 ' A' ' 111' ' ' ILE . 71.5 mtt-85 -120.78 -38.33 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 55.52 110.882 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.505 HG22 HG11 ' A' ' 7' ' ' VAL . 1.3 pp -148.17 163.44 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 52.02 111.141 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.3 176.69 6.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.15 110.89 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.475 ' OE1' HG23 ' A' ' 105' ' ' ILE . 0.9 OUTLIER -140.22 125.57 18.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 75.31 110.907 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -112.57 108.74 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.906 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -75.87 101.63 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.868 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.504 ' SG ' HD11 ' A' ' 78' ' ' LEU . 30.9 m -115.06 82.13 1.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 75.52 110.893 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 68.9 -141.2 35.82 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 53.23 112.508 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 4.22 2.33 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.662 2.241 . . . . 75.21 112.332 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.6 mt -121.28 175.6 6.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 55.11 110.868 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -153.47 125.6 7.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 62.54 111.126 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.447 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 87.5 m-85 -105.54 168.92 8.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 53.11 110.89 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -150.34 130.54 13.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 74.34 110.93 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.649 ' HB2' HG21 ' A' ' 80' ' ' THR . 4.0 p90 -123.9 154.27 67.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.739 . . . . 65.1 110.953 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 81.6 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.252 . . . . 74.53 112.346 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 54.32 112.531 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.54 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.8 0.333 . . . . 64.2 111.131 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.99 147.4 47.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 75.22 110.907 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.691 HD11 ' HA ' ' A' ' 43' ' ' MET . 1.5 mp -97.06 -32.96 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 61.33 111.131 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.621 HG23 ' HB2' ' A' ' 39' ' ' ASP . 13.5 m -152.56 100.6 2.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.731 . . . . 71.1 111.117 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.9 Cg_endo -69.72 163.05 39.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 72.33 112.349 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -54.14 168.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.91 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.88 HD11 ' HB3' ' A' ' 31' ' ' MET . 16.2 pt -120.86 127.41 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 63.24 111.15 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.04 -171.7 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 73.21 111.158 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.778 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -58.94 -20.68 54.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.838 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -74.37 -28.96 61.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.891 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.555 ' O ' HG22 ' A' ' 17' ' ' THR . 72.9 mm-40 -100.04 -46.32 5.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 63.35 110.893 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -55.39 -34.72 64.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 74.54 110.904 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -9.84 58.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 75.33 110.926 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -77.93 -2.32 36.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 72.14 111.193 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.468 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.2 mp -113.95 130.69 23.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.593 0.711 . . . . 74.43 111.175 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.27 64.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.271 . . . . 62.12 112.343 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -23.32 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 72.02 110.884 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -63.5 -24.18 67.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.925 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -98.38 -37.55 9.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 71.34 110.905 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.468 HD21 ' HB ' ' A' ' 18' ' ' ILE . 14.5 mt -68.62 -48.97 62.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 61.15 110.923 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.82 -85.57 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 53.21 112.478 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -127.43 19.42 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 72.41 110.884 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 100' ' ' SER . 0.2 OUTLIER -86.27 174.79 8.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 63.32 110.921 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -152.14 162.69 40.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 75.33 111.123 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.778 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -51.34 -41.25 60.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 70.11 110.923 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.37 -43.79 96.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 73.32 110.877 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.4 mtt -60.69 -44.23 96.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 60.42 110.91 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.88 ' HB3' HD11 ' A' ' 10' ' ' ILE . 34.8 mtt -74.79 -34.36 62.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 71.42 110.853 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -57.01 -41.12 77.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.894 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.724 ' OE1' HD22 ' A' ' 97' ' ' LEU . 12.7 pt-20 -81.52 -33.16 31.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 52.14 110.865 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.588 HG23 ' CZ ' ' A' ' 101' ' ' PHE . 37.0 mt -66.24 -46.71 86.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 73.1 111.157 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 31' ' ' MET . 18.2 t -75.01 -32.38 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 73.35 111.136 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 t -68.65 -51.93 36.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 73.31 110.9 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.575 ' HG3' HG23 ' A' ' 89' ' ' ILE . 2.5 tppt? -63.29 -47.7 81.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 75.32 110.951 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.836 ' HA ' HD13 ' A' ' 89' ' ' ILE . 27.5 tpp -55.6 -45.95 77.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 60.12 110.888 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.621 ' HB2' HG23 ' A' ' 7' ' ' VAL . 38.6 t0 -66.75 -28.74 68.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 71.43 110.883 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -63.27 -56.09 19.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 63.52 110.882 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.446 ' CG ' ' CE2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -62.35 -43.22 99.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 74.55 110.88 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.635 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -67.35 -27.78 67.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 75.22 110.944 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.691 ' HA ' HD11 ' A' ' 6' ' ' ILE . 57.6 ttp -71.04 -37.87 72.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 75.32 110.916 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.541 ' O ' HD12 ' A' ' 48' ' ' ILE . 2.8 ptmm? -71.64 -38.98 70.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.908 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -64.16 -51.87 61.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 52.43 110.894 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.0 p -61.14 -29.0 69.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 61.12 110.84 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -29.85 63.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 70.41 110.886 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 44' ' ' LYS . 5.9 mt -77.61 -32.2 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 72.14 111.12 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.614 HD11 HD21 ' A' ' 82' ' ' LEU . 5.6 mt -63.54 -20.95 66.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 64.14 110.922 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -104.23 -37.26 2.92 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 61.11 112.475 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -62.13 171.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 75.23 110.894 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.15 170.64 7.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 64.11 111.151 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -58.9 -24.06 61.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 74.53 110.858 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -69.24 -39.44 78.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 61.34 110.944 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -82.41 -32.1 29.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 72.3 110.928 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.72 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -50.81 130.06 24.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 63.53 110.948 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.75 -175.29 2.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 70.03 111.121 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -54.29 -54.87 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 65.4 110.905 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.585 ' O ' HG13 ' A' ' 63' ' ' VAL . 3.9 m -53.83 -33.61 56.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 40.14 110.83 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -74.01 -31.79 63.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.852 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.72 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -76.12 -41.06 51.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 74.12 110.894 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.95 -37.5 84.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.25 110.867 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 59' ' ' SER . 34.1 m -72.87 -39.02 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 74.5 111.136 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.22 -45.3 93.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 71.15 110.918 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -36.11 81.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 72.22 110.85 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -71.38 -49.38 42.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 72.45 110.862 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.473 ' HA ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -54.94 -41.61 71.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.921 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -25.27 61.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 70.24 110.82 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.92 -35.81 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 65.11 110.893 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 67' ' ' TRP . 2.2 mt -76.16 -37.63 57.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 72.41 110.956 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -69.9 -29.34 66.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 54.11 110.904 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.3 ptm -89.18 -16.81 30.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 73.25 110.853 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -96.57 -7.94 33.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.906 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.54 -0.19 14.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 74.51 111.147 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 49.53 27.56 2.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.876 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -179.44 121.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 75.24 110.893 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -62.06 97.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.897 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.596 HD11 ' SG ' ' A' ' 119' ' ' CYS . 4.1 mp -49.8 154.8 1.66 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.648 0.737 . . . . 72.22 110.885 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -7.7 21.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.253 . . . . 51.15 112.363 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.739 HG21 ' CD1' ' A' ' 126' ' ' TYR . 1.7 t -126.8 159.15 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.35 111.169 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.405 HG23 ' HH2' ' A' ' 67' ' ' TRP . 6.6 m -114.12 -23.49 9.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 73.21 111.162 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.614 HD21 HD11 ' A' ' 49' ' ' LEU . 11.6 mt -102.92 67.46 0.96 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 50.42 110.894 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.63 ' HD2' HG23 ' A' ' 80' ' ' THR . 8.8 p90 -122.46 154.75 37.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.861 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -128.38 175.61 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 63.43 110.888 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.485 HD12 ' OG1' ' A' ' 87' ' ' THR . 14.6 pt -113.53 152.32 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 75.44 111.165 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -76.02 -23.43 55.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 75.01 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.485 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -73.13 -5.4 38.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.22 111.118 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -112.9 -2.53 14.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 62.12 110.868 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.836 HD13 ' HA ' ' A' ' 38' ' ' MET . 43.9 mt -125.71 -39.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 70.55 111.149 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.588 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -49.7 -54.8 27.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.72 . . . . 70.45 110.867 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.8 0.02 6.28 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.717 2.278 . . . . 71.54 112.337 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.76 -29.84 11.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.897 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.408 HD23 ' CB ' ' A' ' 37' ' ' LYS . 25.8 mt -57.55 -101.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 75.21 110.898 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.519 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.9 tt0 -142.92 144.8 32.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 64.13 110.871 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -67.64 -39.94 84.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.883 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.09 18.03 4.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 73.51 110.892 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.724 HD22 ' OE1' ' A' ' 33' ' ' GLU . 13.2 tp -79.15 -24.49 43.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.871 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 64.34 164.71 0.12 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.665 0.745 . . . . 73.21 110.821 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 67.36 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.651 2.234 . . . . 73.04 112.379 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.462 ' HB2' HD21 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -99.21 -27.15 13.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 61.01 110.891 -179.847 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.588 ' CZ ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -50.27 -54.07 23.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 45.33 110.866 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.31 -22.69 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 63.24 111.059 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -95.8 -18.95 20.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 54.04 110.883 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -90.03 -20.91 22.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 61.45 111.072 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.634 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.8 mm -46.6 -52.8 28.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.637 0.732 . . . . 74.24 111.162 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.71 -19.39 36.4 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.738 2.292 . . . . 42.34 112.329 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.401 ' O ' HG23 ' A' ' 111' ' ' ILE . 34.0 m -83.24 -33.88 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 51.45 110.919 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.514 HD23 ' N ' ' A' ' 108' ' ' LEU . 3.2 mt -70.73 -53.88 13.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 64.45 110.932 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -60.61 -31.0 70.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.82 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -59.05 -20.59 54.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.87 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.486 HG22 ' CG2' ' A' ' 17' ' ' THR . 0.2 OUTLIER -101.46 -3.47 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 55.51 111.133 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 68.26 49.52 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 72.12 110.88 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -109.76 -40.62 4.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 62.44 110.831 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.3 pp -148.47 -177.78 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 54.41 111.164 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.432 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.2 OUTLIER -137.32 171.12 14.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 63.35 110.883 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.96 130.18 29.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 64.41 110.932 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.22 105.67 14.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 72.32 110.908 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -75.3 103.32 5.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 65.44 110.831 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.596 ' SG ' HD11 ' A' ' 78' ' ' LEU . 35.0 m -117.8 81.96 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.9 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 70.6 -140.88 32.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 72.22 112.467 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 2.23 3.7 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.663 2.242 . . . . 53.35 112.334 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 34.6 mt -117.68 170.89 8.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 65.43 110.904 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.23 120.14 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 53.11 111.131 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.464 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 96.3 m-85 -100.57 172.61 7.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 71.23 110.868 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -152.65 127.91 9.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.495 . . . . 72.04 110.955 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.739 ' CD1' HG21 ' A' ' 80' ' ' THR . 7.3 p90 -126.06 155.83 72.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 73.54 110.949 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . 0.669 ' O ' ' C ' ' A' ' 128' ' ' GLY . 53.9 Cg_endo -69.76 112.24 3.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.266 . . . . 74.35 112.32 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . 0.669 ' C ' ' O ' ' A' ' 127' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 43.21 112.513 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.539 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.845 0.355 . . . . 51.21 111.085 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.33 145.51 43.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 62.3 110.915 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.765 HD13 ' HB3' ' A' ' 42' ' ' LEU . 3.0 mp -92.8 -36.63 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 65.54 111.148 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 7' ' ' VAL . 4.9 m -154.47 99.52 2.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 74.3 111.113 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.7 Cg_endo -69.84 173.92 10.34 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 75.1 112.343 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -51.59 156.24 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 53.15 110.938 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.801 HD11 ' HB3' ' A' ' 31' ' ' MET . 1.1 pt -119.21 112.02 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 65.21 111.133 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.48 -171.69 1.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 52.45 111.161 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.805 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -59.53 -23.26 62.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 74.15 110.866 179.891 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -53.02 -30.47 35.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.35 110.884 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.691 ' O ' HG22 ' A' ' 17' ' ' THR . 8.1 mm-40 -102.06 -42.25 6.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 72.21 110.883 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.511 ' CE2' HD13 ' A' ' 23' ' ' LEU . 18.4 t80 -61.97 -23.68 66.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 75.22 110.85 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -72.94 -28.06 62.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.868 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.691 HG22 ' O ' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -77.82 -3.39 41.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 71.35 111.124 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.448 ' O ' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -127.1 88.62 53.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.728 . . . . 74.3 111.133 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -175.76 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.715 2.277 . . . . 75.12 112.335 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -55.22 -23.5 22.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 72.3 110.888 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -68.72 -16.44 63.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 63.33 110.931 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -112.56 -41.12 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 74.5 110.9 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.511 HD13 ' CE2' ' A' ' 15' ' ' PHE . 5.0 mt -79.98 -48.28 13.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 73.24 110.904 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.48 -60.82 4.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 50.54 112.516 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -148.62 15.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 74.45 110.915 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.456 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 0.2 OUTLIER -93.42 175.35 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 71.23 110.924 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.12 163.35 37.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 74.04 111.125 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.805 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -50.03 -42.37 49.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 73.21 110.9 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -41.47 93.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 53.42 110.889 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.434 ' HB2' HD23 ' A' ' 26' ' ' LEU . 17.4 mmt -63.27 -41.66 99.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 72.33 110.871 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.801 ' HB3' HD11 ' A' ' 10' ' ' ILE . 87.6 mtp -75.17 -37.55 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 63.43 110.915 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -57.04 -42.07 79.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 64.22 110.911 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.699 ' CD ' HD13 ' A' ' 97' ' ' LEU . 7.8 pt-20 -79.26 -27.54 42.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.886 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.551 HG22 ' CE ' ' A' ' 38' ' ' MET . 33.8 mt -73.97 -45.46 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 54.1 111.155 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 31' ' ' MET . 7.8 t -73.77 -28.28 24.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 74.01 111.087 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -73.94 -42.83 59.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 61.1 110.863 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -68.48 -49.14 61.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 72.35 110.905 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.551 ' CE ' HG22 ' A' ' 34' ' ' ILE . 19.3 ptp -58.58 -38.92 78.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 72.32 110.914 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -68.39 -29.78 68.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 70.43 110.903 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.37 -51.87 46.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.917 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.642 ' CD2' HD11 ' A' ' 89' ' ' ILE . 3.4 t80 -61.94 -46.05 91.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.846 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.768 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -65.82 -35.31 80.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.882 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.637 ' HA ' HD11 ' A' ' 6' ' ' ILE . 51.4 ttp -62.76 -39.45 94.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 71.41 110.862 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.542 ' O ' HD12 ' A' ' 48' ' ' ILE . 5.9 ptmt -70.37 -35.26 73.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.891 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -62.55 -53.96 46.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.87 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -62.67 -26.31 68.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 71.02 110.827 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -29.07 62.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.893 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 44' ' ' LYS . 5.9 mt -80.02 -32.64 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 62.41 111.126 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.445 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.9 mt -62.04 -19.54 63.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 75.13 110.905 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.4 -26.03 5.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 40.11 112.467 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -174.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 74.12 110.921 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.0 p -133.89 173.55 11.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 75.43 111.194 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -56.0 -24.78 41.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 53.14 110.91 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -66.31 -38.13 87.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 75.3 110.886 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.521 ' O ' HG23 ' A' ' 57' ' ' THR . 5.8 tp-100 -90.78 -33.99 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 61.52 110.914 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.68 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.1 tt -50.11 128.84 19.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 42.02 110.925 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 55' ' ' GLN . 26.7 p -124.96 -172.86 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.44 111.181 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -52.78 -53.31 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 75.31 110.828 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.601 ' O ' HG13 ' A' ' 63' ' ' VAL . 3.5 m -56.1 -29.62 60.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 71.22 110.898 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -74.59 -33.35 62.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 62.53 110.837 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.68 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -75.92 -36.55 59.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 60.22 110.887 -179.851 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.88 -36.59 72.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 71.34 110.856 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.601 HG13 ' O ' ' A' ' 59' ' ' SER . 29.6 m -73.79 -39.55 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 52.55 111.088 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.471 HD12 ' HE3' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -64.72 -44.95 88.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.909 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.49 -35.12 79.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 73.54 110.867 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -74.73 -43.15 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 75.45 110.851 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.491 ' HA ' HD21 ' A' ' 70' ' ' LEU . 7.5 m0 -58.44 -41.37 84.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.978 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.419 ' O ' ' HE3' ' A' ' 72' ' ' MET . 1.9 ptm180 -76.25 -24.35 54.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 71.44 110.884 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -42.01 60.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.896 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.842 HD22 HG23 ' A' ' 85' ' ' ILE . 1.6 pp -73.76 -41.3 62.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 64.34 110.889 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.515 ' N ' HD12 ' A' ' 70' ' ' LEU . 15.5 pt-20 -65.58 -31.51 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.896 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.419 ' HE3' ' O ' ' A' ' 68' ' ' ARG . 6.7 ptp -88.73 -22.59 23.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.892 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.47 ' HB3' HD11 ' A' ' 122' ' ' LEU . 0.6 OUTLIER -75.51 -22.52 57.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 65.1 110.919 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -74.12 -0.35 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 52.14 111.123 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 43.24 37.01 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 71.42 110.845 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -158.42 132.2 7.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.84 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.2 91.97 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 72.14 110.859 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.543 HD21 ' CD1' ' A' ' 124' ' ' PHE . 5.1 mp -59.37 160.37 13.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 73.44 110.91 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.38 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 63.42 112.382 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.58 159.73 16.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 70.21 111.112 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 81' ' ' THR . 18.1 m -118.82 -8.56 10.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 64.31 111.133 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 mt -103.59 74.49 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.936 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.89 -175.4 3.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 75.35 110.901 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.768 ' HD2' HD23 ' A' ' 42' ' ' LEU . 2.2 p90 -152.25 171.83 17.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.879 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.842 HG23 HD22 ' A' ' 70' ' ' LEU . 45.7 pt -108.07 143.42 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 75.43 111.095 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.97 -25.55 58.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 71.23 110.923 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.39 -8.29 55.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 75.21 111.137 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -112.44 -2.83 14.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.883 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.642 HD11 ' CD2' ' A' ' 41' ' ' PHE . 40.8 mm -123.2 -8.0 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 74.41 111.142 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.526 ' H ' ' HD2' ' A' ' 91' ' ' PRO . 17.1 ttt-85 -86.52 -60.81 0.26 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.605 0.717 . . . . 74.42 110.873 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.526 ' HD2' ' H ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.81 22.64 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.648 2.232 . . . . 72.41 112.331 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . 0.49 ' H ' ' C ' ' A' ' 90' ' ' ARG . 12.1 ptm -122.68 -26.56 4.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 72.55 110.872 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.424 ' CB ' HD23 ' A' ' 97' ' ' LEU . 1.8 mt -67.0 -129.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 70.15 110.914 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.479 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 23.7 mp0 -114.39 157.21 23.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 70.33 110.917 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -77.74 -20.81 52.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.846 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.89 -8.67 23.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 71.03 110.872 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.699 HD13 ' CD ' ' A' ' 33' ' ' GLU . 22.6 tp -65.49 -31.06 71.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.54 110.887 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 61.7 162.5 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 64.23 110.852 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 70.76 1.56 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.703 2.269 . . . . 75.43 112.322 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 m -94.31 -15.99 23.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 73.01 110.826 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.19 -53.52 34.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 63.35 110.892 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.05 -23.78 8.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 42.22 111.081 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -94.19 -22.95 18.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 74.23 110.928 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.456 ' HB2' ' CD2' ' A' ' 26' ' ' LEU . . . -91.77 -9.14 44.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 70.34 111.105 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.649 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.0 mm -49.14 -50.93 60.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.634 0.731 . . . . 75.05 111.129 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.73 -33.27 17.03 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.728 2.286 . . . . 65.31 112.332 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.0 -8.47 58.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 51.02 110.861 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.467 HD11 HG22 ' A' ' 35' ' ' VAL . 1.6 mm? -101.2 -27.95 12.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.914 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 19.8 ptt180 -91.36 -32.12 15.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 64.14 110.876 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -56.87 -21.27 28.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.854 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.664 HG22 HG21 ' A' ' 17' ' ' THR . 20.7 pt -96.61 -11.4 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 52.24 111.131 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.4 53.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 75.44 110.901 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -117.52 -28.91 5.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.875 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.563 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.6 pp -147.67 179.01 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.01 111.177 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.563 ' N ' HD12 ' A' ' 114' ' ' ILE . 31.4 mtp85 -141.36 169.77 16.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 73.51 110.913 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.71 129.21 16.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.53 110.93 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -114.86 106.62 14.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 71.23 110.888 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.88 101.9 10.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.876 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 4.2 m -125.69 97.15 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 75.14 110.936 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 57.33 -149.64 31.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 74.3 112.486 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 41.58 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.707 2.271 . . . . 73.15 112.33 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.47 HD11 ' HB3' ' A' ' 73' ' ' LYS . 62.2 mt -150.29 167.53 26.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 71.2 110.887 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.76 111.56 4.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 70.05 111.14 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.543 ' CD1' HD21 ' A' ' 78' ' ' LEU . 26.1 m-85 -95.71 162.89 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 73.31 110.92 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -150.55 118.27 6.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 73.22 110.871 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.05 157.98 59.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.688 0.756 . . . . 72.13 110.902 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 97.7 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 73.01 112.351 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 73.05 112.545 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.515 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.81 0.338 . . . . 74.03 111.158 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptp85 -71.06 177.47 3.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 55.34 110.858 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.505 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -121.35 -17.12 5.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 71.22 111.163 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.584 HG23 ' HB3' ' A' ' 39' ' ' ASP . 16.6 m -153.53 106.14 2.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.678 0.751 . . . . 71.52 111.144 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 179.6 3.58 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.625 2.217 . . . . 61.45 112.381 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.86 164.36 26.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 71.44 110.878 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.829 HD11 ' HB3' ' A' ' 31' ' ' MET . 13.0 pt -118.24 126.76 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 73.32 111.151 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.475 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -98.61 -170.82 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.23 111.127 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.683 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -57.39 -21.64 37.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.858 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -70.36 -29.37 66.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 74.04 110.933 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.416 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 14.6 mm-40 -101.88 -46.0 5.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 74.2 110.888 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.45 ' HA ' HD12 ' A' ' 18' ' ' ILE . 18.1 t80 -55.42 -34.27 64.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 74.42 110.845 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -21.66 49.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.864 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 p -76.72 -10.3 59.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 72.53 111.15 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.593 ' O ' HD11 ' A' ' 23' ' ' LEU . 2.5 mt -113.7 100.02 51.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 73.22 111.128 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 167.14 25.32 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.708 2.272 . . . . 72.01 112.371 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -56.53 -20.27 19.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.87 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -61.6 -17.51 55.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 70.21 110.925 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -117.25 -36.89 3.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.12 110.903 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.593 HD11 ' O ' ' A' ' 18' ' ' ILE . 9.3 mt -68.73 -49.35 59.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 63.23 110.887 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.25 -80.38 0.62 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.752 -0.737 . . . . 43.04 112.499 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.9 mtm-85 -128.56 11.19 6.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 74.23 110.891 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.473 ' O ' HG23 ' A' ' 27' ' ' THR . 0.4 OUTLIER -89.77 -179.54 5.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.952 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 26' ' ' LEU . 1.8 p -157.61 167.61 29.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 74.42 111.128 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.683 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -50.14 -42.14 50.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 72.2 110.93 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.72 -42.68 97.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 71.31 110.859 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.6 mtt -63.49 -39.93 95.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 63.33 110.883 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.829 ' HB3' HD11 ' A' ' 10' ' ' ILE . 65.9 mtp -74.2 -39.11 63.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.901 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.44 -43.9 84.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 61.53 110.907 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.625 ' CD ' HD22 ' A' ' 97' ' ' LEU . 16.5 pt-20 -75.24 -27.38 59.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.881 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.037 HD11 HD11 ' A' ' 97' ' ' LEU . 33.5 mt -72.88 -50.47 32.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 75.14 111.091 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.776 HG22 HD11 ' A' ' 108' ' ' LEU . 4.8 t -67.5 -27.84 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.23 111.13 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.07 -45.56 56.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.808 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -44.77 69.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 71.1 110.899 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.561 ' HE2' ' HA ' ' A' ' 35' ' ' VAL . 39.0 mtm -58.14 -52.61 64.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 74.03 110.861 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.584 ' HB3' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -62.16 -32.4 73.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 64.33 110.863 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.95 -52.02 67.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 63.44 110.886 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.73 -49.84 71.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 63.41 110.883 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.74 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -62.52 -32.05 72.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 64.41 110.89 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.467 ' N ' HD11 ' A' ' 6' ' ' ILE . 45.6 ttp -66.89 -37.63 84.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 75.23 110.884 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -69.7 -36.12 75.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.89 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 1.1 ttmp? -65.07 -54.19 33.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 73.42 110.845 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.7 p -60.5 -27.35 67.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 74.14 110.825 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -29.04 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.894 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' ' 44' ' ' LYS . 8.2 mt -80.24 -31.54 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 63.43 111.125 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.45 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.7 mt -63.21 -22.53 66.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 71.14 110.954 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -102.07 -37.47 3.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 14.4 112.479 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.67 165.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 72.41 110.923 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.4 168.98 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 61.11 111.133 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -65.56 -20.53 66.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 74.4 110.897 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -75.01 -41.47 59.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 73.03 110.906 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -85.53 -32.2 22.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 75.14 110.901 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.711 HD21 ' HD2' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -53.86 139.98 31.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 53.33 110.925 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.4 p -115.62 -174.05 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 72.24 111.149 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -64.95 -37.51 87.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 72.25 110.894 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.498 ' O ' HG13 ' A' ' 63' ' ' VAL . 5.3 m -57.57 -36.81 72.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.888 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -72.26 -32.28 66.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 74.24 110.843 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.711 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -77.6 -38.92 47.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 73.23 110.886 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -67.11 -37.6 84.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.846 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 59' ' ' SER . 31.3 m -73.87 -40.65 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 72.13 111.175 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.418 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -60.17 -43.57 95.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 73.32 110.913 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -35.42 74.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.899 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -72.74 -40.92 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.898 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.409 ' HA ' HD21 ' A' ' 70' ' ' LEU . 19.8 m0 -65.26 -36.44 84.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 75.3 110.904 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -25.84 57.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 72.21 110.856 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -40.55 62.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.86 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.685 HD22 ' CG2' ' A' ' 85' ' ' ILE . 3.5 pp -75.28 -31.94 60.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 72.15 110.899 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.616 ' N ' HD12 ' A' ' 70' ' ' LEU . 4.4 pt-20 -72.27 -32.88 67.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 75.33 110.861 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.9 ptp -89.25 -13.07 38.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.852 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -91.26 -19.0 23.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 62.02 110.905 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.456 ' HA ' HD12 ' A' ' 122' ' ' LEU . . . -73.49 -2.73 23.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 53.11 111.088 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 45.87 56.66 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.902 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -159.83 150.19 18.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 72.53 110.927 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -93.76 97.27 10.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 73.52 110.849 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.553 HD21 ' CD1' ' A' ' 124' ' ' PHE . 10.7 mp -95.83 107.77 36.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 73.31 110.945 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 78' ' ' LEU . 54.2 Cg_endo -69.74 57.73 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.722 2.281 . . . . 73.23 112.374 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.95 155.41 13.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 41.34 111.135 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 81' ' ' THR . 3.6 m -134.44 29.06 3.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 73.5 111.09 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.618 ' O ' HD11 ' A' ' 42' ' ' LEU . 13.0 mt -139.2 57.77 1.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 74.05 110.916 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -133.01 175.03 9.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 71.21 110.862 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.74 ' HD2' HD23 ' A' ' 42' ' ' LEU . 4.4 p90 -144.47 167.93 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 75.54 110.872 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.685 ' CG2' HD22 ' A' ' 70' ' ' LEU . 46.1 pt -104.84 144.38 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 64.15 111.147 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.78 -25.5 55.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.876 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.436 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -75.58 -7.47 54.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.51 111.161 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.49 -30.43 12.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.833 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.501 HG13 ' CE1' ' A' ' 84' ' ' PHE . 12.4 mm -99.09 -26.19 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 74.32 111.182 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.521 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 1.1 ttp180 -49.21 -58.16 9.6 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.572 0.701 . . . . 72.23 110.871 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.76 4.33 2.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.653 2.235 . . . . 72.51 112.339 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.2 -36.13 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 70.34 110.853 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.704 ' HB3' HD23 ' A' ' 97' ' ' LEU . 97.5 mt -66.93 -115.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 74.23 110.912 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -142.86 149.57 38.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 63.34 110.925 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.21 -54.89 29.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.889 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -72.3 -8.25 53.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 55.44 110.802 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.037 HD11 HD11 ' A' ' 34' ' ' ILE . 15.1 tp -94.65 -15.75 23.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 72.44 110.918 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.509 ' N ' ' HD2' ' A' ' 99' ' ' PRO . 8.3 mtp180 -51.02 -58.91 8.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 64.3 110.868 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 98' ' ' ARG . 53.2 Cg_endo -69.81 -5.22 15.71 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.648 2.232 . . . . 75.25 112.301 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.748 ' HB2' HD12 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -89.02 -17.16 29.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 65.53 110.829 -179.819 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -54.92 27.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.883 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.54 -23.79 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 70.13 111.094 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -94.14 -22.33 18.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.04 110.911 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.21 -21.44 29.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 71.33 111.115 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.632 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.1 mm -47.94 -51.87 44.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 41.33 111.14 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.73 -29.74 23.55 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.713 2.275 . . . . 63.12 112.347 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.467 ' HB2' ' HE3' ' A' ' 31' ' ' MET . 20.9 m -76.73 -15.25 59.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 33.42 110.884 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.776 HD11 HG22 ' A' ' 35' ' ' VAL . 2.8 mm? -93.78 -37.78 11.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 75.42 110.909 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 32.4 ptt85 -82.32 -28.59 31.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.32 110.873 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -56.41 -21.56 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 70.31 110.873 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 11.5 pt -103.56 -7.18 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 74.12 111.111 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 69.76 55.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 72.03 110.823 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -117.2 -29.6 5.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 72.11 110.861 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.549 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.6 pp -148.79 -179.19 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 73.31 111.078 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.549 ' N ' HD12 ' A' ' 114' ' ' ILE . 3.9 mtt180 -140.67 173.38 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 74.55 110.835 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.487 ' OE1' HG23 ' A' ' 105' ' ' ILE . 1.2 pm0 -149.12 126.73 11.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.866 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -112.67 103.96 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 73.32 110.901 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.86 101.79 3.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 75.34 110.903 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 11.4 m -119.26 81.67 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.877 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 68.72 -141.48 36.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 63.42 112.49 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 54.4 Cg_endo -69.66 2.97 3.0 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 72.03 112.39 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 74' ' ' ALA . 62.5 mt -115.84 170.3 8.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 73.15 110.897 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.2 m -156.6 116.26 3.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 72.34 111.124 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.553 ' CD1' HD21 ' A' ' 78' ' ' LEU . 21.8 m-85 -95.43 168.42 10.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 75.43 110.917 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.413 ' CD1' ' HB3' ' A' ' 116' ' ' GLU . 35.2 m-85 -152.48 118.13 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.937 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.3 149.56 49.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.703 0.763 . . . . 73.32 110.902 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 91.27 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 62.53 112.323 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 71.53 112.49 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.531 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.864 0.364 . . . . 72.41 111.143 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.59 159.53 1.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 75.45 110.868 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.517 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -113.79 -25.15 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 74.05 111.145 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.731 HG23 ' HB2' ' A' ' 39' ' ' ASP . 12.3 m -153.54 99.03 2.65 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 60.51 111.149 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 54.0 Cg_endo -69.71 171.24 14.76 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.646 2.23 . . . . 75.32 112.4 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -67.01 163.53 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 62.33 110.934 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.756 HD11 ' HB3' ' A' ' 31' ' ' MET . 1.0 OUTLIER -122.87 115.12 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 73.53 111.106 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.536 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -82.18 -172.33 3.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 60.14 111.192 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.738 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -55.95 -26.69 49.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.874 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -60.74 -29.14 69.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 75.34 110.852 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.477 ' O ' HG22 ' A' ' 17' ' ' THR . 76.9 mm-40 -108.11 -39.54 5.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 70.15 110.883 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -55.37 -37.35 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.873 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.29 -0.7 57.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.905 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -78.87 -3.82 46.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 72.14 111.129 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.496 HG13 HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -115.91 150.16 44.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 50.43 111.131 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.87 67.46 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.717 2.278 . . . . 74.33 112.341 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HA ' HD12 ' A' ' 23' ' ' LEU . 1.2 ttmt -64.64 -22.65 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.25 110.92 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -62.56 -16.52 56.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 63.35 110.934 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -106.94 -31.0 8.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 75.41 110.929 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.526 ' HA ' HD12 ' A' ' 26' ' ' LEU . 64.5 mt -61.19 -57.73 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.51 69.29 1.32 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.686 -0.769 . . . . 72.41 112.516 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 67.17 12.63 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 70.44 110.898 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 23' ' ' LEU . 3.4 mt -71.94 156.92 38.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 73.02 110.909 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.06 153.04 48.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 74.21 111.143 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.738 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -49.91 -40.58 43.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 71.13 110.895 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.41 -37.84 82.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 74.14 110.867 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 50.9 mtt -66.91 -45.58 77.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 63.1 110.893 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.756 ' HB3' HD11 ' A' ' 10' ' ' ILE . 89.8 mtp -75.33 -29.6 60.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 73.11 110.846 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -64.61 -41.62 96.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.1 110.933 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.565 ' OE1' HD22 ' A' ' 97' ' ' LEU . 10.0 pt-20 -79.81 -29.28 40.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 65.21 110.916 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.7 mt -70.45 -48.19 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 72.52 111.167 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.749 HG22 HD11 ' A' ' 108' ' ' LEU . 18.3 t -73.01 -31.24 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 74.51 111.17 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -69.27 -50.75 43.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 62.32 110.88 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -62.44 -52.98 61.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 74.1 110.854 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.453 ' HG3' HG21 ' A' ' 89' ' ' ILE . 19.3 mtp -51.58 -45.95 63.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 61.12 110.882 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.731 ' HB2' HG23 ' A' ' 7' ' ' VAL . 55.4 t0 -62.62 -32.1 73.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 55.42 110.904 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.69 -46.91 83.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 64.43 110.872 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.475 ' HD2' HD11 ' A' ' 89' ' ' ILE . 2.3 t80 -64.13 -53.26 52.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 72.12 110.878 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.711 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -62.48 -34.19 76.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 62.54 110.915 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.517 ' N ' HD11 ' A' ' 6' ' ' ILE . 11.1 tpt -62.51 -39.49 93.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 73.12 110.89 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.709 ' O ' HD12 ' A' ' 48' ' ' ILE . 6.6 ptmt -69.55 -35.1 75.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 71.43 110.888 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 29.6 tptt -62.36 -54.7 36.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 71.04 110.873 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -63.26 -24.38 67.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 53.14 110.862 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -29.4 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 62.41 110.88 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -82.51 -32.31 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 74.33 111.096 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.464 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.3 mt -63.41 -18.5 63.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 24.11 110.907 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -109.75 -34.0 2.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 50.45 112.447 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -51.98 171.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.355 . . . . 70.24 110.904 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 p -122.95 -175.34 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 55.04 111.141 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -69.5 -10.99 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 74.24 110.893 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -80.33 -44.79 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.914 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.542 ' O ' HG23 ' A' ' 57' ' ' THR . 24.1 mm-40 -92.13 -24.51 19.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 74.14 110.876 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.404 ' C ' HD23 ' A' ' 56' ' ' LEU . 5.7 tt -54.02 122.6 10.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 71.45 110.907 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 55' ' ' GLN . 81.6 p -128.13 -174.18 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 72.13 111.177 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -51.78 -45.93 63.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.427 . . . . 73.13 110.903 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.601 ' O ' HG13 ' A' ' 63' ' ' VAL . 3.5 m -51.42 -33.7 31.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.868 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -75.51 -34.33 60.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 72.32 110.882 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.04 -38.94 66.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.866 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.8 pt-20 -69.16 -40.91 77.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.4 110.85 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.672 HG11 ' HE2' ' A' ' 44' ' ' LYS . 35.1 m -70.41 -38.05 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 64.42 111.093 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.473 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -63.53 -43.89 95.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.944 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -45.29 83.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 62.12 110.84 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -65.11 -45.33 85.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 65.43 110.908 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.714 ' HA ' HD12 ' A' ' 70' ' ' LEU . 3.5 m95 -55.16 -50.09 70.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 64.55 110.923 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -64.03 -22.51 66.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 72.43 110.877 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -34.49 63.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.912 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.732 HD22 HG23 ' A' ' 85' ' ' ILE . 0.5 OUTLIER -75.99 -45.26 35.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 74.42 110.932 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -66.16 -28.48 68.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 72.15 110.873 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.3 ptm -88.17 -17.61 30.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 61.35 110.852 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.22 -16.14 36.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.877 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.768 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -73.36 1.4 9.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 40.44 111.125 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 51.09 31.14 6.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 75.45 110.859 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -175.45 170.57 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 73.21 110.918 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 52.6 mmt-85 -110.55 90.8 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 74.33 110.908 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.9 mp -52.3 161.48 1.03 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 51.12 110.914 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -31.3 21.01 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.743 2.296 . . . . 74.15 112.334 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.71 HG21 ' CG ' ' A' ' 126' ' ' TYR . 6.5 t -106.42 142.51 35.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.54 111.142 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 m -105.48 22.48 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 72.42 111.151 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.68 ' HB3' HD11 ' A' ' 42' ' ' LEU . 13.9 mt -131.02 61.42 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 61.43 110.944 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.442 ' HD2' HG23 ' A' ' 80' ' ' THR . 6.4 p90 -127.31 162.93 25.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 63.24 110.853 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.711 ' HD2' HD23 ' A' ' 42' ' ' LEU . 6.4 p90 -139.35 174.63 10.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 52.44 110.905 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.732 HG23 HD22 ' A' ' 70' ' ' LEU . 38.0 pt -106.49 144.8 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 54.25 111.148 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.6 -26.96 62.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 75.23 110.931 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -6.91 52.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 63.44 111.161 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -97.94 -21.9 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 65.54 110.876 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.475 HD11 ' HD2' ' A' ' 41' ' ' PHE . 10.3 mm -107.77 -34.87 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.44 111.129 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.534 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 11.6 ttm180 -48.91 -58.37 8.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 63.43 110.879 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.0 Cg_endo -69.73 5.4 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 72.44 112.38 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.29 -27.85 9.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 65.52 110.853 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.83 -113.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 74.35 110.959 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.523 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.3 tt0 -139.94 142.96 36.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 73.02 110.909 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -65.8 -40.11 91.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 70.24 110.841 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -89.64 21.93 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 64.02 110.841 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.565 HD22 ' OE1' ' A' ' 33' ' ' GLU . 11.0 tp -82.74 -19.7 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.907 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.547 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 2.9 mmt180 64.36 160.48 0.12 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.566 0.698 . . . . 73.02 110.904 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.547 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.6 Cg_endo -69.74 70.86 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.263 . . . . 61.0 112.353 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.6 p -98.13 -20.78 17.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.864 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -49.85 -53.0 28.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 65.34 110.895 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.17 -21.96 15.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 72.44 111.096 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -96.83 -20.57 18.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 72.24 110.906 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.05 -19.81 29.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 60.55 111.124 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.648 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 12.8 mm -47.8 -51.76 43.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.66 0.743 . . . . 55.45 111.149 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.2 Cg_endo -69.76 -34.6 14.25 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 74.53 112.373 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 6.1 m -75.39 -13.94 60.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 71.23 110.898 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.749 HD11 HG22 ' A' ' 35' ' ' VAL . 2.9 mm? -95.26 -32.18 13.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.905 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.432 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 14.2 ptt85 -87.55 -30.83 20.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 72.45 110.867 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -56.35 -23.95 40.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 71.34 110.846 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.415 HG22 ' CG2' ' A' ' 17' ' ' THR . 0.8 OUTLIER -101.36 -5.07 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 63.22 111.127 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 67.05 57.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.842 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.47 ' CD ' HG12 ' A' ' 7' ' ' VAL . 21.8 tpp85 -116.54 -31.0 5.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 71.21 110.898 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.562 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.7 pp -149.53 -178.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 73.42 111.132 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.562 ' N ' HD12 ' A' ' 114' ' ' ILE . 41.0 mtp180 -144.83 174.76 10.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.897 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.44 ' HB3' ' CD2' ' A' ' 125' ' ' TYR . 0.0 OUTLIER -145.79 125.94 13.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 71.31 110.91 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -113.2 108.99 18.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 73.23 110.913 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.37 102.16 4.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.878 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 25.7 m -115.42 81.15 1.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 42.21 110.877 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.413 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 69.28 -141.43 35.61 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.679 -0.772 . . . . 51.21 112.509 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.413 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 53.9 Cg_endo -69.74 4.87 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 70.32 112.354 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.3 mt -119.63 174.3 6.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.9 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.9 m -155.43 116.57 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 75.13 111.166 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.768 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 67.4 m-85 -96.84 169.21 10.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 54.43 110.888 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 116' ' ' GLU . 16.2 m-85 -150.75 125.22 9.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.51 110.891 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.71 ' CG ' HG21 ' A' ' 80' ' ' THR . 0.6 OUTLIER -125.55 147.98 60.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.731 . . . . 74.2 110.924 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 90.23 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.235 . . . . 74.23 112.372 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 72.22 112.469 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.543 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.826 0.346 . . . . 55.25 111.107 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.67 143.98 34.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 65.42 110.904 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.659 HD13 ' HB3' ' A' ' 42' ' ' LEU . 3.7 mp -90.58 -38.38 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 74.21 111.111 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 7' ' ' VAL . 6.5 m -155.25 98.35 2.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.739 . . . . 72.04 111.176 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.7 Cg_endo -69.73 170.54 16.3 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.697 2.265 . . . . 74.52 112.324 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -53.68 174.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 73.33 110.945 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.703 HD11 ' HB3' ' A' ' 31' ' ' MET . 8.6 pt -123.1 126.04 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.13 111.123 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.78 175.73 9.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 75.31 111.13 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.974 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -57.05 -32.95 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.22 110.87 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.6 -27.58 64.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.31 110.899 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.557 ' O ' HG22 ' A' ' 17' ' ' THR . 16.8 mm-40 -91.42 -20.71 21.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 72.42 110.869 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.51 ' CD1' HD12 ' A' ' 28' ' ' LEU . 14.2 t80 -94.23 -28.25 15.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 74.01 110.904 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -82.06 3.56 26.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 73.33 110.883 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.604 HG21 HG21 ' A' ' 111' ' ' ILE . 13.1 t -78.91 -17.52 55.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 51.33 111.152 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.446 HG13 HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -110.01 136.02 20.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.634 0.731 . . . . 73.11 111.127 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 159.31 53.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 61.23 112.372 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -61.2 -21.08 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 75.21 110.919 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -62.87 -16.95 60.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 74.03 110.912 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -109.08 -33.51 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 54.41 110.917 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.666 ' O ' HD12 ' A' ' 26' ' ' LEU . 56.3 mt -60.94 -60.58 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 54.41 110.944 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.68 77.83 0.21 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 64.45 112.45 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 65.66 13.9 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 52.34 110.915 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 23' ' ' LEU . 1.9 mt -88.16 152.13 22.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.21 110.897 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.3 m -138.35 158.2 44.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.46 . . . . 53.23 111.093 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.974 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -49.28 -43.9 43.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 73.04 110.911 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.22 -39.83 80.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 74.45 110.89 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.9 mmt -62.38 -47.57 83.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 64.43 110.897 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.703 ' HB3' HD11 ' A' ' 10' ' ' ILE . 12.7 mtt -73.81 -32.74 63.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 72.02 110.885 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -58.46 -43.34 88.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.895 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.599 ' OE1' HD22 ' A' ' 97' ' ' LEU . 12.6 pt-20 -79.03 -28.82 43.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 74.4 110.888 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.671 HG23 ' CE2' ' A' ' 101' ' ' PHE . 47.2 mt -71.33 -45.36 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 70.22 111.126 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 31' ' ' MET . 21.3 t -74.03 -28.68 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 61.41 111.092 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -73.71 -44.27 56.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 52.32 110.875 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -68.28 -48.68 64.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 73.13 110.866 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.605 ' HE3' HG22 ' A' ' 34' ' ' ILE . 12.6 ptp -57.79 -39.42 77.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 71.42 110.883 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -68.77 -30.37 68.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 54.24 110.83 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.52 -56.77 10.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 64.24 110.873 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -59.05 -47.51 84.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.881 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.748 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -62.87 -37.49 87.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 73.03 110.935 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.561 ' HA ' HD11 ' A' ' 6' ' ' ILE . 12.2 tpt -60.8 -37.24 81.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 62.54 110.82 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.779 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -70.88 -37.81 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 64.42 110.88 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 46.6 tptt -60.94 -53.72 53.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 75.42 110.885 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.6 p -61.76 -29.13 69.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 64.11 110.88 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -28.76 63.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 74.31 110.881 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 44' ' ' LYS . 2.5 mt -79.55 -32.24 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 71.25 111.156 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.603 ' CD1' HD21 ' A' ' 82' ' ' LEU . 5.9 mt -63.9 -19.61 65.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 74.24 110.921 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -102.28 -34.79 4.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 71.4 112.463 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -53.23 172.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 75.44 110.869 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.1 p -120.91 179.06 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 54.45 111.083 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.44 -20.53 66.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.894 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -70.98 -42.69 69.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 71.14 110.921 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -87.79 -33.45 18.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.04 110.932 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.542 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.3 tt -49.91 125.89 12.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 61.4 110.952 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.31 -173.3 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 63.41 111.194 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.4 tpp85 -50.08 -50.82 46.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 75.44 110.908 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.602 ' O ' HG13 ' A' ' 63' ' ' VAL . 3.8 m -53.6 -33.54 55.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 62.33 110.84 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.561 ' OD2' HG23 ' A' ' 48' ' ' ILE . 3.2 t0 -75.87 -33.78 59.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 60.33 110.862 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.542 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -75.56 -38.35 59.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 64.22 110.884 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' HG2' ' HA ' ' A' ' 59' ' ' SER . 15.8 pt-20 -69.31 -40.32 77.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 60.35 110.83 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.713 HG11 ' HE2' ' A' ' 44' ' ' LYS . 28.3 m -69.75 -39.57 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 72.25 111.163 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.523 HD22 ' OD1' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -65.82 -43.35 88.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 75.33 110.892 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -36.17 83.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 51.41 110.879 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -74.48 -47.19 34.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 64.42 110.869 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.485 ' HE3' HD12 ' A' ' 64' ' ' LEU . 5.6 m0 -53.34 -48.37 68.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 73.02 110.891 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -73.39 -22.6 60.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 74.33 110.84 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -73.11 -43.09 62.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 71.3 110.897 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.78 HD22 ' CG2' ' A' ' 85' ' ' ILE . 3.9 pp -74.73 -31.42 61.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 72.35 110.889 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.695 ' N ' HD12 ' A' ' 70' ' ' LEU . 83.6 tt0 -72.57 -28.58 62.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 75.42 110.888 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -89.63 -25.86 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.89 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.557 ' HE2' HD11 ' A' ' 122' ' ' LEU . 11.7 ptmt -81.8 -15.75 53.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 62.12 110.915 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -72.28 -0.15 11.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 71.05 111.137 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 48.54 49.63 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 61.35 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.1 tptp 179.41 122.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 65.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -78.9 90.18 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.873 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.92 153.45 54.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.583 0.706 . . . . 72.14 110.914 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -49.26 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 65.14 112.327 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -78.07 155.31 30.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 62.02 111.163 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.1 m -121.4 -4.17 9.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 72.15 111.181 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.603 HD21 ' CD1' ' A' ' 49' ' ' LEU . 23.8 mt -108.15 66.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 72.54 110.958 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.03 -174.28 3.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 74.4 110.863 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.748 ' HD2' HD23 ' A' ' 42' ' ' LEU . 2.3 p90 -152.06 164.01 38.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 72.4 110.873 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.78 ' CG2' HD22 ' A' ' 70' ' ' LEU . 43.9 pt -100.5 144.35 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 64.31 111.164 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -23.36 46.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.3 110.904 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.454 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -75.59 -9.02 58.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 72.41 111.145 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -105.67 -17.36 14.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.852 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.484 HG13 ' CE1' ' A' ' 84' ' ' PHE . 22.1 mm -106.47 -31.83 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 53.02 111.14 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.5 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 3.9 ttp85 -49.98 -59.47 6.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 70.21 110.851 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.75 5.39 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.707 2.271 . . . . 71.5 112.355 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -104.49 -34.82 8.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 71.43 110.885 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.11 -116.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 71.43 110.902 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.429 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -140.82 140.83 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 61.22 110.907 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -68.39 -24.23 64.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.917 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -101.01 0.17 37.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 72.24 110.863 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.599 HD22 ' OE1' ' A' ' 33' ' ' GLU . 14.4 tp -63.87 -18.81 64.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 73.44 110.939 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 61.69 163.8 0.11 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 74.34 110.88 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 68.53 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.722 2.281 . . . . 72.13 112.358 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 m -98.23 -25.85 14.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 55.44 110.924 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.671 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -51.56 -50.92 59.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 73.41 110.846 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.27 -22.62 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 71.32 111.079 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -95.15 -22.34 17.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 72.53 110.915 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.419 ' N ' HD11 ' A' ' 26' ' ' LEU . . . -86.96 -18.19 31.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 64.53 111.057 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.645 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 12.6 mm -47.65 -51.49 44.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.636 0.731 . . . . 71.41 111.141 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.645 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.76 -32.14 19.16 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 64.43 112.382 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.2 m -74.34 -18.79 60.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 61.42 110.882 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.86 -38.66 12.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 64.01 110.935 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 7.0 ptm180 -80.09 -31.59 39.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.4 110.861 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -55.86 -21.82 21.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 63.44 110.849 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.604 HG21 HG21 ' A' ' 17' ' ' THR . 12.3 pt -104.78 -8.73 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 71.53 111.144 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 71.09 54.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -112.87 -29.68 7.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 65.33 110.907 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.549 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.7 pp -150.6 -179.17 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.13 111.137 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.549 ' N ' HD12 ' A' ' 114' ' ' ILE . 2.7 mtt180 -139.11 171.1 14.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 42.32 110.925 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.613 ' OE1' HG23 ' A' ' 105' ' ' ILE . 1.8 pm0 -149.03 128.94 13.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.912 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -116.9 105.34 12.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 64.34 110.879 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.66 104.3 3.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 64.51 110.87 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 10.4 m -120.77 82.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 61.32 110.901 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 67.37 -140.1 36.72 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.736 . . . . 74.14 112.496 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 53.7 Cg_endo -69.79 1.5 4.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.724 2.283 . . . . 71.44 112.352 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.557 HD11 ' HE2' ' A' ' 73' ' ' LYS . 1.9 mt -118.12 174.33 6.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.93 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 8.8 m -155.57 123.25 5.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 74.11 111.156 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 9.3 m-85 -94.77 163.11 13.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 63.54 110.881 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -150.59 117.59 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 65.14 110.924 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.81 158.62 61.94 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.684 0.754 . . . . 73.24 110.906 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . 0.4 ' HB3' HG22 ' A' ' 6' ' ' ILE . 53.8 Cg_endo -69.77 98.77 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.687 2.258 . . . . 74.35 112.322 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 54.13 112.509 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.837 0.351 . . . . 73.43 111.114 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.09 145.39 55.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.856 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.721 HD11 ' HA ' ' A' ' 43' ' ' MET . 1.2 mp -96.84 -36.31 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 75.43 111.101 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.471 HG23 ' HB2' ' A' ' 39' ' ' ASP . 3.4 m -155.77 98.9 2.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 71.21 111.139 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 54.3 Cg_endo -69.71 171.15 14.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 63.24 112.386 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -58.54 155.75 11.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 71.23 110.934 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.816 HD11 ' HB3' ' A' ' 31' ' ' MET . 3.4 pt -117.53 114.74 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 53.3 111.154 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.486 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -88.41 -170.51 2.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 62.41 111.159 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.674 ' HA ' HD11 ' A' ' 28' ' ' LEU . 2.7 t0 -55.39 -23.3 23.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 72.15 110.877 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.64 -30.03 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.884 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.455 ' O ' HG23 ' A' ' 17' ' ' THR . 70.0 mm-40 -104.67 -43.01 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 74.23 110.852 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -57.85 -24.93 59.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.34 110.892 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -12.72 60.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 64.54 110.893 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.563 ' OG1' HD13 ' A' ' 18' ' ' ILE . 18.7 p -78.03 -15.42 58.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 51.51 111.088 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.563 HD13 ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -122.54 94.58 47.56 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.631 0.729 . . . . 61.3 111.11 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 178.77 4.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.721 2.281 . . . . 75.21 112.387 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -53.14 -25.92 15.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 75.21 110.903 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -62.46 -22.84 66.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 74.11 110.956 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -109.28 -42.98 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 75.01 110.923 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.553 HD21 HG13 ' A' ' 18' ' ' ILE . 14.6 mt -68.54 -54.3 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 63.35 110.927 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.53 -55.35 4.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.789 -0.719 . . . . 74.43 112.461 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -155.06 21.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 75.13 110.852 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' A' ' 30' ' ' MET . 0.2 OUTLIER -100.52 165.79 11.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 70.21 110.938 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.417 ' OG1' ' HG2' ' A' ' 30' ' ' MET . 0.0 OUTLIER -139.82 165.85 26.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 62.23 111.126 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.674 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -53.32 -41.0 65.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.942 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.89 -39.88 90.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 75.41 110.856 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.536 ' HB2' HD23 ' A' ' 26' ' ' LEU . 7.9 mmt -66.07 -43.89 86.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 74.41 110.881 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.816 ' HB3' HD11 ' A' ' 10' ' ' ILE . 93.0 mtp -75.82 -30.79 59.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.52 110.904 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -64.08 -40.13 95.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 62.34 110.927 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.597 ' OE2' HD13 ' A' ' 97' ' ' LEU . 12.5 pt-20 -80.97 -30.02 35.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 52.01 110.905 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.601 HG23 ' CE2' ' A' ' 101' ' ' PHE . 41.8 mt -70.29 -48.61 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 74.12 111.147 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.671 HG22 HD11 ' A' ' 108' ' ' LEU . 21.7 t -73.08 -29.44 28.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 72.21 111.172 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -67.97 -52.04 40.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 75.03 110.901 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -64.29 -49.05 73.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.899 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -43.53 63.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 65.51 110.885 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.471 ' HB2' HG23 ' A' ' 7' ' ' VAL . 37.7 t0 -67.3 -30.4 70.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 74.13 110.867 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -62.28 -58.58 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 75.54 110.847 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -45.52 92.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 71.24 110.871 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -65.09 -29.19 70.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 72.13 110.929 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.721 ' HA ' HD11 ' A' ' 6' ' ' ILE . 6.0 tpt -68.04 -39.89 82.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.894 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.626 ' CE ' HG11 ' A' ' 63' ' ' VAL . 9.0 ptmt -71.45 -35.48 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 75.43 110.914 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -64.22 -53.67 45.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 74.24 110.888 179.862 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -62.63 -25.85 68.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 70.24 110.849 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -27.99 61.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 74.55 110.944 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 44' ' ' LYS . 5.9 mt -81.85 -31.95 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.44 111.144 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 6.7 mt -69.67 -11.03 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 70.02 110.92 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.08 33.17 2.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 64.52 112.463 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -119.18 -175.32 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.389 . . . . 72.13 110.846 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 54' ' ' LYS . 8.8 t -127.18 171.09 11.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 72.12 111.12 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.403 ' HA ' ' HB3' ' A' ' 56' ' ' LEU . 3.0 m120 -66.15 -12.9 58.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 63.23 110.891 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.514 ' H ' HG23 ' A' ' 52' ' ' THR . 45.1 mttm -68.15 -54.12 20.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 61.53 110.881 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.595 ' O ' HG23 ' A' ' 57' ' ' THR . 21.9 tp60 -84.34 -30.15 25.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 62.43 110.887 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 56' ' ' LEU . 5.0 tt -47.3 119.68 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.93 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 55' ' ' GLN . 33.7 p -115.93 -172.93 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 75.31 111.143 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -59.01 -45.3 91.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 72.43 110.899 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.465 ' O ' HG13 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -51.32 -31.48 21.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 52.31 110.868 -179.83 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -73.75 -34.2 64.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 62.11 110.835 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -36.3 67.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 72.34 110.819 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 63' ' ' VAL . 0.4 OUTLIER -70.7 -37.99 73.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 72.32 110.912 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.626 HG11 ' CE ' ' A' ' 44' ' ' LYS . 27.9 m -74.57 -39.35 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 74.31 111.09 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -63.42 -42.99 98.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 65.14 110.945 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -36.32 79.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 62.34 110.801 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -73.73 -40.96 63.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 53.1 110.929 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -44.03 97.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 73.13 110.887 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -73.16 -22.36 60.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 73.04 110.865 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -70.73 -44.41 66.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 74.11 110.891 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.908 HD22 HG23 ' A' ' 85' ' ' ILE . 2.9 pp -76.5 -29.14 56.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 35.33 110.934 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.57 ' N ' HD12 ' A' ' 70' ' ' LEU . 11.2 tp10 -73.73 -30.66 62.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 73.53 110.892 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.7 ptm -87.73 -19.3 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 65.4 110.904 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.586 ' HE3' HD11 ' A' ' 122' ' ' LEU . 3.0 pttp -91.52 -13.51 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.4 110.897 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.611 ' HB2' ' HZ ' ' A' ' 124' ' ' PHE . . . -72.81 -1.24 15.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 31.41 111.073 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 48.15 38.92 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 70.45 110.852 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -177.62 136.7 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 75.42 110.903 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -88.6 91.51 8.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.836 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.659 HD21 ' CD2' ' A' ' 124' ' ' PHE . 1.6 mp -51.77 158.15 1.72 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.622 0.725 . . . . 73.21 110.878 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.653 2.235 . . . . 71.24 112.347 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.723 HG21 ' HB3' ' A' ' 126' ' ' TYR . 4.6 t -79.84 164.29 23.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 64.04 111.114 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.8 t -117.81 -18.05 9.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 62.31 111.122 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.742 ' HB3' HD11 ' A' ' 42' ' ' LEU . 12.4 mt -98.29 67.01 1.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 71.04 110.955 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.686 ' HD2' HG23 ' A' ' 80' ' ' THR . 9.0 p90 -132.3 153.95 50.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.885 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.731 ' CD2' HD23 ' A' ' 42' ' ' LEU . 1.4 p90 -130.33 175.61 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.9 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.908 HG23 HD22 ' A' ' 70' ' ' LEU . 43.6 pt -107.27 146.5 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 74.14 111.128 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -26.85 55.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 64.13 110.86 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.558 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -74.63 -6.81 50.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 72.23 111.171 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.42 -3.13 17.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 64.41 110.834 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.8 mm -123.51 -40.06 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 63.42 111.088 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.603 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.3 OUTLIER -53.76 -54.69 43.63 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.612 0.72 . . . . 75.35 110.887 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.0 Cg_endo -69.78 3.69 2.64 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.687 2.258 . . . . 62.11 112.378 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.71 -30.88 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.919 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.6 mt -64.27 -112.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 60.01 110.886 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.449 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 1.1 mt-30 -133.53 140.53 47.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 73.02 110.891 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.41 -23.99 65.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 64.44 110.816 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -100.83 -2.01 33.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 71.11 110.878 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.597 HD13 ' OE2' ' A' ' 33' ' ' GLU . 26.0 tp -65.77 -22.24 66.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 64.02 110.926 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.401 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 24.9 mmt180 61.08 161.39 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 71.5 110.904 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.7 Cg_endo -69.81 70.0 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.665 2.244 . . . . 75.54 112.346 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.5 m -97.21 -17.3 19.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 65.03 110.922 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.601 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -50.88 -50.72 56.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 72.54 110.869 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.03 -24.4 9.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.22 111.114 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -91.98 -24.98 19.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.918 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.88 -15.66 41.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 65.22 111.132 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.649 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 14.1 mm -46.87 -51.42 39.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 64.41 111.116 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.75 -30.29 22.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.237 . . . . 73.12 112.34 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.476 ' HA ' HG21 ' A' ' 18' ' ' ILE . 5.7 m -77.91 -15.62 58.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.43 110.898 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.671 HD11 HG22 ' A' ' 35' ' ' VAL . 3.1 mm? -94.97 -34.76 12.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.54 110.912 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.463 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -83.7 -29.72 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.858 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -56.18 -21.49 23.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 65.42 110.882 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.493 HD12 ' CD ' ' A' ' 113' ' ' ARG . 9.4 pt -101.11 -11.38 8.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 63.11 111.095 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 71.59 58.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 75.24 110.864 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.493 ' CD ' HD12 ' A' ' 111' ' ' ILE . 51.0 mtt180 -121.64 -32.64 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.909 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.59 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.5 pp -144.56 179.08 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 71.21 111.088 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.59 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.2 OUTLIER -148.21 177.34 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.902 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.435 ' CD ' HG23 ' A' ' 105' ' ' ILE . 2.8 pm0 -143.15 138.01 29.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 64.42 110.891 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.61 106.32 15.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.879 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -84.4 101.57 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 73.32 110.866 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.0 m -129.63 87.96 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 63.23 110.87 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 65.73 -148.04 50.83 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.819 -0.705 . . . . 53.4 112.464 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 33.75 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.716 2.277 . . . . 61.43 112.354 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.586 HD11 ' HE3' ' A' ' 73' ' ' LYS . 14.9 mt -138.32 162.14 35.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.89 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.89 104.59 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 72.24 111.136 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.659 ' CD2' HD21 ' A' ' 78' ' ' LEU . 54.0 m-85 -95.48 172.22 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 72.34 110.879 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -151.92 124.44 8.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.949 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.723 ' HB3' HG21 ' A' ' 80' ' ' THR . 1.0 OUTLIER -120.9 147.67 46.77 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.66 0.743 . . . . 64.32 110.916 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 88.46 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 75.54 112.342 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 52.3 112.449 179.928 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.786 0.327 . . . . 64.31 110.887 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -91.35 -50.1 5.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 53.45 110.881 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.59 92.12 6.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 73.55 110.837 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.541 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -118.69 154.35 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.139 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -55.31 160.21 2.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.81 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.51 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -116.89 -25.14 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 41.42 111.111 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.678 HG23 ' HB2' ' A' ' 39' ' ' ASP . 18.4 m -152.54 106.98 2.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.571 0.701 . . . . 71.05 111.187 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -175.01 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 2.276 . . . . 72.31 112.323 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -87.25 161.57 17.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 75.42 110.906 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.814 HD11 ' HB3' ' A' ' 31' ' ' MET . 7.8 pt -115.01 138.64 44.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 72.21 111.07 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.49 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -113.4 -168.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.112 -0.494 . . . . 74.41 111.101 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.674 ' HA ' HD11 ' A' ' 28' ' ' LEU . 10.8 t0 -57.43 -21.94 39.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 71.02 110.909 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -71.51 -30.07 65.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 71.41 110.89 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.469 ' HG3' HG22 ' A' ' 10' ' ' ILE . 28.5 mm-40 -95.78 -39.04 10.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 75.44 110.882 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.532 ' CE1' HD13 ' A' ' 23' ' ' LEU . 6.5 t80 -64.19 -40.36 95.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 75.21 110.879 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -58.17 -20.19 38.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 62.24 110.917 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 p -77.41 -11.42 59.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 61.15 111.147 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.714 HD13 ' SG ' ' A' ' 107' ' ' CYS . 2.6 mt -114.63 109.92 47.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.621 0.724 . . . . 62.13 111.121 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 18' ' ' ILE . 54.2 Cg_endo -69.77 162.34 42.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.279 . . . . 64.43 112.354 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -58.04 -20.03 35.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 72.42 110.886 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -61.38 -19.45 61.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 72.35 110.903 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -113.05 -34.11 5.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.926 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.651 HD11 ' O ' ' A' ' 18' ' ' ILE . 5.0 mt -75.44 -52.0 11.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 73.11 110.911 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.57 -89.27 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.77 -0.729 . . . . 72.32 112.496 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -114.93 22.71 13.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 74.45 110.866 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.48 HD12 ' HB3' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -98.16 176.03 5.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.882 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 26' ' ' LEU . 1.1 p -158.52 162.23 37.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 61.33 111.143 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.674 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -50.63 -42.77 56.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 73.12 110.919 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.27 -41.71 89.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 72.51 110.891 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.0 mtt -63.21 -42.31 99.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 73.42 110.879 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.814 ' HB3' HD11 ' A' ' 10' ' ' ILE . 1.6 mtp -74.51 -37.44 63.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 73.41 110.893 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -57.07 -42.4 80.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.89 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.595 ' CD ' HD13 ' A' ' 97' ' ' LEU . 9.6 pt-20 -78.4 -27.19 46.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 63.13 110.927 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.7 mt -72.73 -46.16 54.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 63.51 111.183 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.969 HG22 HD11 ' A' ' 108' ' ' LEU . 4.8 t -73.9 -27.58 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 71.31 111.088 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -72.53 -52.96 13.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 61.3 110.853 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.513 ' HB2' HD23 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -62.27 -43.38 98.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.822 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 78.8 mtp -59.22 -49.66 77.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 71.03 110.865 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.678 ' HB2' HG23 ' A' ' 7' ' ' VAL . 51.7 t0 -59.22 -29.9 67.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.43 . . . . 63.25 110.895 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -66.53 -54.95 18.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 53.32 110.864 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -39.44 91.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 71.44 110.865 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.701 HD23 ' CE2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -72.75 -35.02 67.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.915 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.51 ' N ' HD11 ' A' ' 6' ' ' ILE . 10.6 tpt -65.0 -41.31 95.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 64.4 110.871 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.753 ' O ' HD12 ' A' ' 48' ' ' ILE . 5.1 ptpp? -70.66 -34.02 71.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 75.43 110.914 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -62.55 -53.63 51.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 64.53 110.918 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.403 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 1.5 t -64.7 -24.89 67.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.84 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -29.46 63.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 73.4 110.925 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.753 HD12 ' O ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -81.65 -33.22 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 51.34 111.09 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.428 ' N ' HD23 ' A' ' 49' ' ' LEU . 6.1 mt -60.86 -18.78 58.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 61.15 110.891 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.06 -31.28 3.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 54.15 112.516 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.05 -174.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 54.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 p -139.96 -172.72 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 64.42 111.139 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -64.35 -15.55 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.882 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -70.52 -53.41 16.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.896 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.99 -28.59 29.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 73.44 110.936 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 56' ' ' LEU . 2.9 tt -50.77 117.85 2.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.909 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 t -119.36 -174.12 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 63.02 111.11 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -50.76 -50.35 55.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 65.54 110.904 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.615 ' O ' HG13 ' A' ' 63' ' ' VAL . 4.1 m -60.5 -25.98 66.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 52.23 110.857 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -74.87 -33.76 62.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 73.44 110.877 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -38.94 57.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 73.41 110.84 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -68.34 -38.14 81.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 52.34 110.887 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.615 HG13 ' O ' ' A' ' 59' ' ' SER . 27.5 m -72.08 -37.98 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 71.54 111.111 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.46 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -65.84 -39.13 90.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.949 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -41.14 82.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.89 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -73.62 -44.7 56.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 60.32 110.824 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 31.0 m0 -59.5 -43.61 93.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 71.53 110.916 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -22.97 60.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 71.42 110.833 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -69.43 -44.51 71.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 74.14 110.846 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.962 HD22 HG23 ' A' ' 85' ' ' ILE . 3.0 pp -76.0 -32.64 59.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 72.23 110.876 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.61 ' N ' HD12 ' A' ' 70' ' ' LEU . 17.8 mt-10 -68.44 -33.08 73.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.859 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.6 ptm -87.65 -18.44 29.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 62.03 110.896 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.47 -18.92 36.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 71.34 110.894 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.633 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -76.21 2.76 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 61.41 111.057 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? 69.8 57.71 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 72.14 110.887 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt 40.23 40.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.87 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.507 ' CB ' HD12 ' A' ' 78' ' ' LEU . 23.7 mmt180 -102.49 -174.16 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 71.31 110.885 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.695 HD21 ' CD2' ' A' ' 124' ' ' PHE . 4.7 mp 63.93 114.77 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.59 0.709 . . . . 42.15 110.901 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -19.24 36.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.732 2.288 . . . . 63.01 112.356 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 81' ' ' THR . 0.2 OUTLIER -92.44 172.08 8.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 72.55 111.103 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 81' ' ' THR . 4.6 m -138.61 9.61 2.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.22 111.153 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.495 ' HB3' HD11 ' A' ' 42' ' ' LEU . 14.6 mt -117.93 65.46 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 70.51 110.919 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.401 ' CZ ' HD22 ' A' ' 78' ' ' LEU . 3.5 p90 -137.21 172.73 12.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.907 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.701 ' CE2' HD23 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -143.97 171.86 13.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 60.13 110.894 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.962 HG23 HD22 ' A' ' 70' ' ' LEU . 43.1 pt -98.98 143.75 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 65.52 111.112 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -56.71 -25.29 53.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 72.2 110.886 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.466 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -72.6 -9.82 59.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 64.11 111.195 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.69 -26.19 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 71.42 110.88 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.1 mm -96.11 -36.18 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 61.13 111.15 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.536 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 10.3 tpp85 -50.68 -57.98 11.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.583 0.706 . . . . 72.04 110.906 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.9 Cg_endo -69.73 5.01 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.672 2.248 . . . . 63.24 112.331 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.15 -22.48 12.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 73.01 110.895 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' A' ' 37' ' ' LYS . 93.3 mt -71.51 -113.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 72.53 110.872 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.429 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 1.8 mt-30 -136.83 141.46 42.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 75.11 110.88 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -68.29 -22.94 64.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 64.12 110.857 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -101.12 -2.58 31.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 72.21 110.868 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.595 HD13 ' CD ' ' A' ' 33' ' ' GLU . 17.1 tp -64.69 -21.84 66.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 73.11 110.93 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 62.21 163.39 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.702 . . . . 74.31 110.873 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 68.26 1.7 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.731 2.287 . . . . 74.34 112.361 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.18 -15.66 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 72.02 110.825 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -50.95 -52.44 42.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 70.04 110.894 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.8 -22.32 13.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 63.01 111.102 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.48 ' HB3' HD12 ' A' ' 26' ' ' LEU . 3.2 mptp? -97.55 -21.81 16.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 71.3 110.907 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.456 ' HB2' HD21 ' A' ' 26' ' ' LEU . . . -84.66 -17.43 38.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 52.51 111.112 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.637 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 14.6 mm -46.63 -52.16 32.64 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.605 0.717 . . . . 72.53 111.083 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.637 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.8 Cg_endo -69.75 -22.0 32.76 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.678 2.252 . . . . 70.41 112.333 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.714 ' SG ' HD13 ' A' ' 18' ' ' ILE . 7.0 t -83.51 -27.4 29.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 74.04 110.879 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.969 HD11 HG22 ' A' ' 35' ' ' VAL . 2.5 mm? -84.29 -34.08 23.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.893 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.474 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 8.0 ptm180 -79.71 -32.73 41.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.44 110.897 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -55.41 -21.19 14.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 72.41 110.862 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 14.5 pt -106.49 -10.84 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 53.3 111.134 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 70.38 45.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.869 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -100.09 -29.37 12.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 61.33 110.894 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.562 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.9 pp -149.85 -179.65 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 72.31 111.136 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.562 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.3 OUTLIER -140.48 169.77 17.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 74.21 110.852 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.462 ' HG2' HG23 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -143.04 126.92 17.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 73.43 110.92 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.15 111.58 21.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.927 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.14 100.58 10.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 73.33 110.868 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 28.4 m -121.71 89.4 3.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.837 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.463 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 62.93 -148.76 49.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 75.33 112.501 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 35.57 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 75.32 112.344 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.463 ' H ' ' C ' ' A' ' 120' ' ' GLY . 32.9 mt -143.95 166.64 24.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 73.12 110.886 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.51 108.73 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 61.43 111.107 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.695 ' CD2' HD21 ' A' ' 78' ' ' LEU . 52.3 m-85 -96.94 163.15 13.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 65.51 110.879 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -148.88 123.55 9.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.133 -0.485 . . . . 70.25 110.955 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -122.47 160.54 47.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.681 0.753 . . . . 61.05 110.918 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 96.69 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.651 2.234 . . . . 54.3 112.362 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 50.25 -149.4 6.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.692 -0.766 . . . . 70.41 112.51 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.3 t -133.17 141.02 47.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.397 . . . . 73.13 110.813 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 74.33 110.846 -179.837 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 ptp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.753 0.311 . . . . 75.55 110.929 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -103.57 -177.93 3.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 63.22 110.911 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -100.46 20.24 15.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.902 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.77 163.1 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 74.32 111.152 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.5 147.17 42.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 75.04 110.839 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.769 HD13 ' HB3' ' A' ' 42' ' ' LEU . 1.8 mp -99.62 -33.38 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 61.42 111.145 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.524 HG11 HG22 ' A' ' 114' ' ' ILE . 5.6 m -154.2 100.06 2.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 74.45 111.164 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.6 Cg_endo -69.8 164.26 35.22 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.642 2.228 . . . . 74.1 112.346 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -61.96 169.21 2.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 62.43 110.89 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.875 HD11 ' HB3' ' A' ' 31' ' ' MET . 12.3 pt -120.6 120.44 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 71.05 111.156 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.16 -169.25 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 74.53 111.19 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.844 ' HA ' HD11 ' A' ' 28' ' ' LEU . 7.3 t70 -63.52 -19.54 64.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 71.11 110.864 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -80.68 -29.33 36.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 74.1 110.856 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.411 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 12.6 mm-40 -95.18 -34.4 12.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 71.33 110.879 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -71.57 -33.56 69.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 64.14 110.876 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -66.42 -11.63 52.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.497 . . . . 72.21 110.913 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 p -76.66 -7.68 55.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 55.33 111.129 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.7 mp -110.96 120.46 43.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.689 0.756 . . . . 65.12 111.129 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 154.74 67.49 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.673 2.248 . . . . 51.15 112.345 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -57.03 -28.03 62.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 74.25 110.887 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -62.75 -17.85 61.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 70.42 110.91 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -108.31 -33.48 7.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 64.13 110.91 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.664 ' O ' HD12 ' A' ' 26' ' ' LEU . 80.2 mt -60.95 -60.31 4.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 53.44 110.924 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.03 74.16 0.51 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.766 -0.731 . . . . 72.15 112.474 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 66.04 13.24 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 75.12 110.888 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 23' ' ' LEU . 2.5 mt -84.25 160.95 20.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.872 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.6 m -144.01 158.85 43.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 72.05 111.123 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.844 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -50.71 -42.66 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 71.14 110.938 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.25 -38.18 79.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 74.35 110.918 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.0 mmt -62.81 -48.05 80.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 72.5 110.923 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.875 ' HB3' HD11 ' A' ' 10' ' ' ILE . 6.6 mtt -75.09 -31.83 61.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 72.13 110.866 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -58.84 -42.94 90.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 73.31 110.864 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.631 ' OE2' HD13 ' A' ' 97' ' ' LEU . 8.0 pt-20 -80.07 -31.45 39.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 61.12 110.85 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.401 ' HA ' HD21 ' A' ' 93' ' ' LEU . 44.3 mt -68.06 -46.74 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 75.24 111.133 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.751 HG22 HD11 ' A' ' 108' ' ' LEU . 14.0 t -75.33 -26.94 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 71.44 111.162 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -73.11 -52.17 15.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 43.13 110.843 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.559 ' HB2' HD23 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -66.32 -42.11 88.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.902 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.9 mtm -58.96 -53.47 58.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 53.52 110.881 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -32.01 72.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 74.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -59.94 -55.18 37.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 64.3 110.848 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.401 ' HD2' HD13 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -60.06 -49.65 76.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 74.51 110.858 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.776 HD23 ' CD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -62.74 -33.08 74.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.901 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.653 ' HA ' HD11 ' A' ' 6' ' ' ILE . 54.6 ttp -64.36 -38.48 91.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 74.34 110.89 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.637 ' O ' HD12 ' A' ' 48' ' ' ILE . 3.4 ptmt -72.0 -36.87 69.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 55.55 110.908 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.444 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 31.5 mmtp -61.42 -53.07 61.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 71.13 110.912 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -64.99 -25.51 67.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.23 110.855 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -29.03 64.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 72.51 110.862 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.651 HG21 HD13 ' A' ' 64' ' ' LEU . 0.9 OUTLIER -84.66 -31.88 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 75.3 111.173 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 5.0 mt -61.43 -17.95 56.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.472 . . . . 75.45 110.911 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -106.13 -36.75 2.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.695 -0.764 . . . . 71.11 112.498 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.85 171.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 75.25 110.856 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 54' ' ' LYS . 15.2 t -117.17 173.18 6.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 75.23 111.145 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -58.14 -22.36 50.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 63.34 110.933 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.654 ' H ' HG23 ' A' ' 52' ' ' THR . 8.5 mmmm -69.85 -45.99 66.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 71.01 110.856 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.694 ' O ' HG23 ' A' ' 57' ' ' THR . 12.9 mm-40 -84.28 -26.57 28.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 73.14 110.933 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 56' ' ' LEU . 1.7 tt -49.05 123.79 7.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 73.24 110.888 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 55' ' ' GLN . 43.7 p -127.06 -172.44 2.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 64.22 111.19 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.8 tpp85 -50.13 -46.44 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 62.1 110.861 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.6 ' O ' HG13 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -61.84 -29.23 70.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 55.24 110.897 -179.803 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.536 ' OD1' HD22 ' A' ' 64' ' ' LEU . 6.0 t0 -75.9 -32.93 59.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 52.24 110.919 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.504 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -75.1 -38.86 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 75.05 110.853 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.4 -42.51 75.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 64.33 110.875 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.632 HG21 HD13 ' A' ' 48' ' ' ILE . 29.1 m -66.57 -40.33 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 73.54 111.144 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.651 HD13 HG21 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -63.75 -44.79 92.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.916 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -42.17 97.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 73.35 110.836 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.445 ' OD1' HD11 ' A' ' 70' ' ' LEU . 18.6 t-20 -70.23 -46.28 64.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.898 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.71 ' HA ' HD12 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -49.84 -48.7 50.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 73.41 110.963 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -22.42 61.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 73.24 110.914 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -38.53 63.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 72.33 110.884 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.742 HD22 HG23 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -75.57 -42.69 51.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 75.43 110.93 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.08 -29.01 68.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 53.41 110.928 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.0 ptm -87.98 -17.33 31.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 43.54 110.897 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -91.23 -12.34 35.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 62.44 110.915 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.675 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -75.58 0.03 18.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 45.2 111.134 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 48.23 36.69 7.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 65.13 110.901 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -178.4 165.65 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 75.22 110.914 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -104.98 91.11 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 64.25 110.885 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.434 HD22 ' CE2' ' A' ' 83' ' ' PHE . 7.4 mp -63.31 160.59 39.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 43.54 110.954 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -36.64 10.38 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.711 2.274 . . . . 74.2 112.301 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.6 m -122.99 99.53 6.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 74.43 111.15 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 m -65.27 -12.57 53.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 64.45 111.186 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.693 ' HB3' HD11 ' A' ' 42' ' ' LEU . 17.6 mt -75.38 71.84 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.901 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.434 ' CE2' HD22 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -141.01 -177.73 5.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 72.23 110.892 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.776 ' CD2' HD23 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -151.32 168.47 24.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.904 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.742 HG23 HD22 ' A' ' 70' ' ' LEU . 33.8 pt -99.16 153.12 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 65.12 111.15 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -56.19 -30.3 62.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 55.41 110.851 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.31 -8.94 58.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 71.2 111.139 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -98.93 -6.93 27.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 63.42 110.871 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.401 HD13 ' HD2' ' A' ' 41' ' ' PHE . 12.4 mm -122.59 -37.36 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.11 111.165 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.528 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 13.0 ttt180 -49.38 -58.62 8.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 74.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.75 9.32 0.61 Allowed 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.689 2.259 . . . . 70.1 112.353 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -112.89 -23.26 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 51.43 110.902 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.559 HD23 ' HB2' ' A' ' 37' ' ' LYS . 36.0 mt -73.8 -118.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 54.15 110.903 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.476 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.7 tt0 -134.81 143.42 47.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 71.53 110.952 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -65.09 -39.32 93.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.872 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -90.42 21.27 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 51.43 110.909 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.631 HD13 ' OE2' ' A' ' 33' ' ' GLU . 9.6 tp -80.67 -22.31 40.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.935 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 64.35 164.11 0.12 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 64.24 110.854 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 69.4 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.649 2.233 . . . . 62.32 112.338 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.72 -23.97 15.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.9 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.615 ' CE1' HD11 ' A' ' 105' ' ' ILE . 15.8 t80 -51.63 -50.48 60.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 74.11 110.878 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.0 -19.94 21.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 44.03 111.073 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.38 -20.13 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.901 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.92 -19.98 33.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 74.51 111.11 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.639 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 15.5 mm -46.32 -52.26 29.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.668 0.747 . . . . 53.4 111.147 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.4 Cg_endo -69.78 -30.75 21.67 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.664 2.243 . . . . 70.33 112.387 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 4.7 m -77.7 -13.9 59.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 72.54 110.867 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.751 HD11 HG22 ' A' ' 35' ' ' VAL . 3.3 mm? -95.15 -34.68 12.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 75.32 110.91 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.44 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 15.0 ptm180 -84.14 -30.63 25.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 70.13 110.852 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -56.57 -20.8 22.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 62.14 110.843 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.695 HD12 ' HD2' ' A' ' 113' ' ' ARG . 13.1 pt -101.16 -11.39 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 63.11 111.09 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.51 57.59 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 74.1 110.882 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.695 ' HD2' HD12 ' A' ' 111' ' ' ILE . 13.0 mtp85 -121.29 -31.57 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 72.34 110.851 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.582 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.5 pp -144.57 -179.27 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 63.22 111.117 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.582 ' N ' HD12 ' A' ' 114' ' ' ILE . 18.5 mtp85 -146.18 175.35 10.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 73.14 110.863 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.48 130.38 18.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 62.11 110.856 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.48 106.74 14.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.895 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -81.95 102.19 10.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 73.54 110.864 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 6.5 m -125.74 93.86 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.892 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.43 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 60.52 -149.27 43.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 35.13 112.475 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 39.34 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 74.3 112.35 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.43 ' H ' ' C ' ' A' ' 120' ' ' GLY . 77.7 mt -147.71 166.89 26.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 43.35 110.876 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m -153.25 111.4 3.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 44.53 111.107 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.675 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 32.0 m-85 -97.92 168.13 10.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 73.51 110.908 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.406 ' H ' ' HB2' ' A' ' 83' ' ' PHE . 37.3 m-85 -151.37 118.8 6.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.96 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -123.95 160.27 52.6 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.653 0.739 . . . . 71.34 110.939 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.48 ' HB3' HG22 ' A' ' 6' ' ' ILE . 53.4 Cg_endo -69.82 93.64 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 2.262 . . . . 61.14 112.348 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 51.76 -170.8 0.37 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 63.13 112.462 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.7 t -113.66 -27.25 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.909 0.385 . . . . 54.12 110.878 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 74.03 110.857 -179.817 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mmt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.744 0.307 . . . . 75.34 110.867 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 59.79 45.92 12.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 61.02 110.867 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -56.36 113.77 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.884 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.52 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -119.74 157.04 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 73.21 111.152 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.08 162.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 65.13 110.895 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.495 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -116.85 -21.19 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 54.04 111.113 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.622 HG23 ' HB2' ' A' ' 39' ' ' ASP . 10.5 m -153.48 98.52 2.69 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 71.11 111.146 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.7 Cg_endo -69.77 172.34 12.82 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.636 2.224 . . . . 72.11 112.381 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -74.2 164.8 26.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.889 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.869 HD11 ' HB3' ' A' ' 31' ' ' MET . 11.8 pt -116.87 119.46 62.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 71.23 111.11 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.04 -166.58 1.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 73.05 111.144 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.758 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -63.33 -20.26 65.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 73.53 110.849 179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -79.88 -29.93 40.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.844 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -95.78 -32.63 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 73.24 110.903 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.419 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 13.3 t80 -72.14 -37.19 69.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.22 110.858 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -10.63 53.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 75.43 110.929 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 p -76.99 -9.62 58.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 74.5 111.13 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.448 ' HB ' HD21 ' A' ' 23' ' ' LEU . 2.7 mp -106.67 129.62 24.15 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 61.31 111.148 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.58 63.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 74.22 112.314 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -56.03 -24.1 37.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.864 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -63.05 -20.75 65.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 75.23 110.896 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -101.92 -38.49 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 71.41 110.906 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.448 HD21 ' HB ' ' A' ' 18' ' ' ILE . 10.1 mt -72.15 -53.52 12.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 55.43 110.935 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.27 -91.84 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 22.24 112.473 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -110.8 25.48 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 75.15 110.89 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.65 166.85 11.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.41 110.928 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 28' ' ' LEU . 4.0 m -147.15 160.32 42.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 45.24 111.167 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.758 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -51.92 -42.32 62.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 72.24 110.925 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.05 -38.04 84.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.861 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.415 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -62.43 -47.56 83.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 71.43 110.898 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.869 ' HB3' HD11 ' A' ' 10' ' ' ILE . 43.3 mtp -75.95 -32.29 59.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 73.11 110.854 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -58.51 -42.12 86.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.859 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.585 ' OE1' HD22 ' A' ' 97' ' ' LEU . 7.8 pt-20 -81.07 -35.0 32.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 71.12 110.937 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.705 HG23 ' CE2' ' A' ' 101' ' ' PHE . 38.8 mt -64.56 -46.11 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 61.12 111.165 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 31' ' ' MET . 19.9 t -75.45 -31.53 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.15 111.107 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.9 t -70.03 -48.61 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 41.32 110.838 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.57 -54.59 25.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 70.43 110.884 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.451 ' HE1' HG21 ' A' ' 114' ' ' ILE . 20.9 ptm -51.39 -39.11 56.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 62.33 110.904 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.622 ' HB2' HG23 ' A' ' 7' ' ' VAL . 49.2 t0 -68.62 -30.78 69.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 73.52 110.839 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -63.62 -49.51 73.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 64.3 110.845 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.91 -49.62 69.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.891 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.696 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -63.17 -33.83 76.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 74.54 110.906 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.495 ' N ' HD11 ' A' ' 6' ' ' ILE . 50.8 ttp -64.6 -40.23 95.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.889 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.556 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -69.1 -33.39 73.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 61.35 110.908 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 28.5 tptt -65.04 -53.67 42.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 72.4 110.889 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.7 p -62.45 -25.97 68.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 65.34 110.847 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -29.77 62.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 64.45 110.909 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.556 HD12 ' O ' ' A' ' 44' ' ' LYS . 6.3 mt -79.49 -32.06 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 74.3 111.103 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.826 HD11 HD21 ' A' ' 82' ' ' LEU . 5.8 mt -62.77 -19.92 64.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 63.31 110.943 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -109.36 -28.32 4.39 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 60.32 112.508 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -63.48 -175.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.367 . . . . 74.2 110.916 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.553 HG21 ' HE3' ' A' ' 54' ' ' LYS . 15.1 t -132.51 171.81 13.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 74.42 111.141 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -53.95 -30.33 46.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.904 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.553 ' HE3' HG21 ' A' ' 52' ' ' THR . 48.7 mtmt -62.39 -41.73 98.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 75.25 110.904 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.562 ' O ' HG23 ' A' ' 57' ' ' THR . 7.5 tp-100 -84.02 -35.52 23.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 65.34 110.964 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.539 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.1 tt -49.28 129.33 18.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 72.43 110.937 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 55' ' ' GLN . 30.4 p -127.28 -173.4 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 71.03 111.148 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -52.13 -49.96 62.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 72.13 110.877 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.592 ' O ' HG13 ' A' ' 63' ' ' VAL . 3.8 m -58.31 -30.23 66.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 64.24 110.886 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -74.43 -33.4 62.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 75.51 110.895 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.539 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -75.85 -38.19 58.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 73.24 110.852 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.92 -36.87 78.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 75.13 110.854 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 59' ' ' SER . 30.2 m -73.96 -39.85 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 73.11 111.119 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.5 HD12 ' HE3' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -62.48 -45.23 93.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 64.15 110.912 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.2 -43.71 85.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.909 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -64.05 -46.78 82.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 73.23 110.888 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.756 ' HA ' HD12 ' A' ' 70' ' ' LEU . 18.4 m0 -55.19 -51.31 66.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.166 -0.47 . . . . 73.2 110.893 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -22.94 65.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 71.04 110.884 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.32 -34.01 63.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.895 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.803 HD22 ' CG2' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -75.39 -43.9 47.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 52.31 110.885 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -67.17 -28.65 68.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 63.31 110.865 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -88.35 -16.24 33.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.906 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm -90.63 -14.38 32.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 73.22 110.913 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.756 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -74.28 1.02 12.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 64.03 111.082 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 49.1 35.5 7.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.862 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -174.06 161.27 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 73.4 110.9 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -102.99 90.85 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.897 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 mp -54.08 162.48 1.48 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.625 0.726 . . . . 64.52 110.862 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -47.55 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.718 2.279 . . . . 53.4 112.353 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.699 HG21 ' CG ' ' A' ' 126' ' ' TYR . 6.2 t -91.21 159.05 16.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 73.55 111.11 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 81' ' ' THR . 3.5 m -117.72 11.92 13.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 65.13 111.178 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.826 HD21 HD11 ' A' ' 49' ' ' LEU . 79.6 mt -123.22 67.59 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 70.35 110.953 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.558 ' HD2' HG23 ' A' ' 80' ' ' THR . 5.3 p90 -131.73 169.0 16.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 65.33 110.916 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.696 ' HD2' HD23 ' A' ' 42' ' ' LEU . 5.5 p90 -144.04 175.07 10.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.872 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.803 ' CG2' HD22 ' A' ' 70' ' ' LEU . 43.0 pt -106.05 148.84 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 74.41 111.113 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.92 -29.22 59.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 72.31 110.894 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.487 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -75.71 -6.13 49.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 70.14 111.12 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.463 ' O ' HD13 ' A' ' 89' ' ' ILE . 0.6 OUTLIER -96.2 -10.47 28.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 63.15 110.851 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.467 HG13 ' CE1' ' A' ' 84' ' ' PHE . 8.8 mm -123.79 -35.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 63.43 111.116 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.536 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 2.1 ttp180 -49.02 -58.16 9.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 72.33 110.886 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.3 Cg_endo -69.81 4.47 2.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.647 2.231 . . . . 73.14 112.345 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.26 -32.84 7.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 62.13 110.843 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 34' ' ' ILE . 78.5 mt -63.56 -108.95 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.274 -0.421 . . . . 72.35 110.911 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.505 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.2 tt0 -140.72 143.43 35.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 42.04 110.898 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -67.32 -39.61 85.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.91 18.35 4.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 73.44 110.867 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.585 HD22 ' OE1' ' A' ' 33' ' ' GLU . 13.0 tp -80.29 -23.67 40.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 73.51 110.935 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.4 mtp85 65.24 164.54 0.12 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 74.5 110.87 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 73.14 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 75.31 112.299 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.4 p -98.67 -30.39 12.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.881 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.705 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -50.97 -51.4 52.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.857 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.16 -22.51 11.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 74.12 111.12 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -98.64 -19.35 17.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 52.04 110.876 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.4 -15.68 34.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 75.34 111.11 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.631 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 15.9 mm -46.08 -52.33 27.66 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.624 0.726 . . . . 74.24 111.154 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.81 -31.86 19.5 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.667 2.245 . . . . 71.52 112.314 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 10.1 m -74.94 -16.99 60.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 64.01 110.924 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.61 HD11 HG22 ' A' ' 35' ' ' VAL . 3.5 mm? -92.74 -37.78 12.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.923 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.441 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 10.2 ptm180 -80.87 -30.47 35.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 72.21 110.869 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -56.28 -22.15 28.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.873 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 15.3 pt -103.17 -7.77 9.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 55.22 111.16 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 71.12 56.66 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 74.14 110.88 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -117.59 -31.35 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 73.51 110.896 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.565 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.5 pp -146.94 -179.47 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 72.44 111.118 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.565 ' N ' HD12 ' A' ' 114' ' ' ILE . 7.5 mtm180 -143.86 173.56 11.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 71.53 110.879 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.566 ' OE1' HG23 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -150.43 126.37 10.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.87 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -113.49 105.94 13.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 72.53 110.87 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.83 101.06 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 72.4 110.896 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 13.7 m -112.9 81.59 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 71.22 110.909 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.414 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 68.59 -141.24 36.45 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.784 -0.722 . . . . 21.12 112.456 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.414 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 53.9 Cg_endo -69.76 5.27 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.69 2.26 . . . . 64.42 112.38 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.1 mt -120.88 176.37 5.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 63.24 110.912 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 5.4 m -158.7 120.8 3.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 72.02 111.143 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.756 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 49.6 m-85 -99.26 172.62 7.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 62.04 110.888 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -152.41 124.62 8.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 73.22 110.923 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.699 ' CG ' HG21 ' A' ' 80' ' ' THR . 0.5 OUTLIER -126.58 156.26 73.47 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.658 0.742 . . . . 72.52 110.898 -179.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 93.48 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.716 2.278 . . . . 72.14 112.344 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 50.67 -152.15 4.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.728 . . . . 63.51 112.448 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.9 t -108.88 123.79 49.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 42.31 110.892 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 63.44 110.824 -179.774 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.1 mtm . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.783 0.325 . . . . 62.03 110.868 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -119.45 157.49 28.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 73.11 110.862 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -113.27 107.17 15.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.42 110.839 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.535 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -119.57 154.81 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 63.11 111.092 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.24 146.63 27.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 74.33 110.887 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.697 HD11 ' HA ' ' A' ' 43' ' ' MET . 1.7 mp -96.93 -34.28 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 64.44 111.119 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.464 HG23 ' HB2' ' A' ' 39' ' ' ASP . 3.9 m -154.75 100.03 2.39 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.631 0.729 . . . . 60.15 111.091 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.3 Cg_endo -69.82 166.17 28.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.656 2.237 . . . . 71.01 112.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -59.38 162.8 4.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 75.35 110.922 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.782 HD11 ' HB3' ' A' ' 31' ' ' MET . 31.2 pt -117.6 135.78 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.32 111.075 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.434 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -101.27 -174.54 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.44 111.198 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.751 ' HA ' HD11 ' A' ' 28' ' ' LEU . 6.7 t0 -58.11 -21.88 48.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 71.13 110.887 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.33 -28.86 67.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.32 110.856 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.537 ' O ' HG22 ' A' ' 17' ' ' THR . 8.6 mm-40 -105.04 -43.58 5.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 44.02 110.891 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -56.65 -33.98 66.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.908 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -8.87 57.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 74.44 110.877 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.537 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -77.22 -7.18 55.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 73.23 111.159 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.459 HG23 ' HD2' ' A' ' 19' ' ' PRO . 3.3 mp -108.05 133.41 20.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.645 0.736 . . . . 54.53 111.15 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.459 ' HD2' HG23 ' A' ' 18' ' ' ILE . 53.9 Cg_endo -69.73 145.54 57.65 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.687 2.258 . . . . 71.14 112.359 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.6 -24.03 30.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 71.24 110.901 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -62.52 -20.76 64.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.902 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -102.0 -37.12 8.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 75.41 110.894 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.443 HD21 ' HB ' ' A' ' 18' ' ' ILE . 11.0 mt -71.87 -53.82 12.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 74.03 110.947 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.38 -91.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 71.25 112.474 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -111.59 25.74 11.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.375 . . . . 72.11 110.891 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -99.4 164.76 11.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 63.4 110.926 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -148.14 161.95 40.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 72.41 111.149 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.751 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -50.79 -42.55 58.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 53.3 110.928 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -40.02 83.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 62.52 110.922 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.402 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -62.39 -46.11 90.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 73.44 110.934 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.782 ' HB3' HD11 ' A' ' 10' ' ' ILE . 6.4 mtt -74.47 -33.3 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 73.41 110.928 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -58.3 -42.59 86.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 61.41 110.902 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.558 ' OE1' HD22 ' A' ' 97' ' ' LEU . 6.8 pt-20 -81.27 -33.49 32.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.912 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.583 HG23 ' CE2' ' A' ' 101' ' ' PHE . 36.6 mt -66.13 -45.83 89.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 74.35 111.185 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 31' ' ' MET . 19.0 t -75.27 -33.6 28.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 64.3 111.119 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -69.69 -45.86 67.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 54.15 110.854 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -66.52 -55.24 16.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 63.33 110.935 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 24.6 ptm -52.09 -39.91 60.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 75.35 110.852 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' HB2' HG23 ' A' ' 7' ' ' VAL . 31.3 t0 -70.02 -29.13 66.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 73.41 110.865 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -64.96 -55.3 19.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 55.21 110.923 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -47.53 84.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 73.15 110.832 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.812 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -63.65 -30.02 71.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 70.31 110.907 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.697 ' HA ' HD11 ' A' ' 6' ' ' ILE . 12.8 tpt -67.64 -38.92 84.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.41 110.861 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -71.18 -37.18 72.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 62.01 110.896 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 4.2 tttt -63.24 -53.09 58.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 71.2 110.878 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 t -62.38 -26.57 68.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.854 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -28.79 61.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 52.25 110.914 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 44' ' ' LYS . 7.3 mt -81.27 -31.16 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 74.42 111.139 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.437 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.9 mt -63.14 -21.5 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 74.01 110.929 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -105.47 -35.14 3.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 61.12 112.504 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 tptt -55.82 176.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.885 0.374 . . . . 62.13 110.873 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 p -115.61 170.37 8.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 72.45 111.184 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -62.25 -22.4 65.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 74.12 110.862 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -72.11 -37.2 69.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 71.23 110.845 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -90.48 -31.42 16.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.913 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.743 HD21 ' HD2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -51.79 130.84 29.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 72.21 110.937 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.6 p -115.53 -174.09 2.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 73.34 111.146 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.2 ttm-85 -60.44 -44.12 96.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 75.44 110.914 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.556 ' O ' HG13 ' A' ' 63' ' ' VAL . 4.7 m -55.45 -35.88 65.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.839 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -73.9 -32.07 63.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 73.41 110.899 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.743 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -74.99 -44.81 46.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.43 110.848 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.43 -44.04 95.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.02 110.902 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 59' ' ' SER . 32.6 m -65.42 -42.62 93.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 63.31 111.123 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.462 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.6 OUTLIER -57.19 -45.07 84.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 63.22 110.921 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.98 -31.23 72.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 70.52 110.836 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -74.43 -41.46 60.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.51 110.878 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.626 ' HE3' HD21 ' A' ' 70' ' ' LEU . 12.9 m95 -62.48 -40.18 95.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 75.3 110.923 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.74 -24.32 56.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.25 110.891 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -72.04 -43.28 65.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.866 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.768 HD22 HG23 ' A' ' 85' ' ' ILE . 1.8 pp -75.27 -36.47 61.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 75.33 110.923 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.433 ' N ' HD12 ' A' ' 70' ' ' LEU . 72.1 tt0 -66.86 -33.98 76.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 63.02 110.88 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.3 ptm -88.63 -14.48 37.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 72.4 110.882 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.432 ' HB3' HD11 ' A' ' 122' ' ' LEU . 1.3 mttt -84.34 -21.54 30.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 71.14 110.883 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.533 ' HB1' ' HB3' ' A' ' 119' ' ' CYS . . . -75.77 1.02 15.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 72.12 111.09 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 43.91 34.86 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 63.42 110.89 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -152.29 128.59 10.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 61.23 110.884 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.77 90.89 5.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 74.22 110.883 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.479 HD21 ' CD1' ' A' ' 124' ' ' PHE . 5.5 mp -61.66 159.82 31.14 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.624 0.726 . . . . 64.13 110.938 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -49.03 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.684 2.256 . . . . 71.43 112.331 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.608 HG21 ' CG ' ' A' ' 126' ' ' TYR . 9.0 t -98.4 167.81 10.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 71.35 111.185 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.9 m -122.23 -21.58 5.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 71.12 111.134 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 82' ' ' LEU . 11.1 mt -80.68 71.79 7.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 64.14 110.904 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.42 -174.81 3.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 75.41 110.864 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.812 ' HD2' HD23 ' A' ' 42' ' ' LEU . 2.4 p90 -152.11 174.36 13.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 73.34 110.87 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.768 HG23 HD22 ' A' ' 70' ' ' LEU . 48.8 pt -114.26 142.16 27.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 72.4 111.17 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.4 -22.75 33.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 75.33 110.899 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.66 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -69.98 -10.14 57.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.31 111.192 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -118.52 5.28 11.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 71.4 110.815 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.419 HG13 ' CE1' ' A' ' 84' ' ' PHE . 18.1 mm -124.18 -34.3 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 73.14 111.125 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.559 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 4.7 ttp180 -59.93 -56.84 31.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 64.51 110.879 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.3 Cg_endo -69.75 4.19 2.33 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 73.12 112.379 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.21 -35.35 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 64.12 110.87 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 34' ' ' ILE . 78.3 mt -63.69 -106.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.964 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.426 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -141.93 134.44 28.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 71.15 110.916 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -64.9 -20.92 66.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 72.35 110.83 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -101.12 -3.47 29.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 75.3 110.869 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.558 HD22 ' OE1' ' A' ' 33' ' ' GLU . 16.7 tp -65.52 -23.89 66.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 72.43 110.905 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.521 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 9.9 mtp180 68.61 159.41 0.15 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.631 0.729 . . . . 70.14 110.829 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.521 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 54.1 Cg_endo -69.74 70.15 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.255 . . . . 61.51 112.352 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 m -98.41 -17.55 18.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.198 -0.455 . . . . 71.54 110.854 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.583 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -50.98 -49.25 60.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.854 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.83 -22.13 13.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 65.44 111.074 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.419 ' HB3' HD12 ' A' ' 26' ' ' LEU . 2.1 mptm? -94.53 -19.57 20.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.24 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.62 -17.37 24.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 64.2 111.103 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.639 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.5 mm -46.61 -52.36 31.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 63.44 111.116 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.2 Cg_endo -69.7 -30.78 22.03 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.669 2.246 . . . . 74.31 112.384 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.4 m -76.9 -15.16 59.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.31 110.93 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.655 HD11 HG22 ' A' ' 35' ' ' VAL . 3.3 mm? -95.41 -33.63 12.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 63.15 110.938 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.424 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 0.3 OUTLIER -85.57 -30.2 23.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 75.1 110.879 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -56.44 -21.68 27.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 61.24 110.843 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.546 HD12 ' CD ' ' A' ' 113' ' ' ARG . 19.1 pt -98.22 -10.57 8.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 61.31 111.107 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.7 58.34 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 74.21 110.851 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.546 ' CD ' HD12 ' A' ' 111' ' ' ILE . 20.4 mtp85 -124.51 -35.28 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 73.32 110.861 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.576 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.3 pp -142.05 171.0 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 74.23 111.087 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.576 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.3 OUTLIER -139.1 174.6 10.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 71.33 110.846 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -147.08 129.22 15.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.865 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -113.31 106.4 14.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 72.01 110.891 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -80.48 102.6 9.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 73.44 110.84 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.533 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 6.7 m -126.5 95.13 4.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 64.44 110.864 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 58.78 -149.29 37.56 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 72.35 112.478 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 40.95 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.637 2.224 . . . . 63.42 112.351 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 73' ' ' LYS . 60.8 mt -150.4 167.76 26.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 74.12 110.927 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.1 113.69 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 74.41 111.151 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.479 ' CD1' HD21 ' A' ' 78' ' ' LEU . 22.3 m-85 -96.17 163.79 12.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.4 110.886 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -150.9 118.55 6.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 65.44 110.945 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.608 ' CG ' HG21 ' A' ' 80' ' ' THR . 0.3 OUTLIER -121.26 157.02 56.92 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.659 0.743 . . . . 75.04 110.951 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.427 ' HG3' HG21 ' A' ' 6' ' ' ILE . 53.4 Cg_endo -69.8 80.75 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.259 . . . . 42.42 112.306 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 47.85 86.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 74.04 112.496 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 t -52.3 -38.04 57.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 73.31 110.853 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 63.25 110.872 -179.794 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 mmt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.751 0.31 . . . . 73.43 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -61.87 -37.07 83.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 72.33 110.909 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -83.4 98.41 9.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 54.01 110.884 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.544 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -119.82 154.05 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.43 111.099 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.422 ' H ' ' NE ' ' A' ' 5' ' ' ARG . 0.3 OUTLIER -55.06 158.44 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 62.05 110.898 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.471 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -116.58 -25.76 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 74.12 111.142 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.676 HG23 ' HB2' ' A' ' 39' ' ' ASP . 5.7 m -154.69 99.52 2.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 71.53 111.125 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 174.21 9.88 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 74.04 112.329 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.79 159.9 33.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.878 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.897 HD11 ' HB3' ' A' ' 31' ' ' MET . 8.9 pt -115.56 116.76 53.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 62.13 111.159 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.21 -169.43 2.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 61.02 111.136 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.771 ' HA ' HD11 ' A' ' 28' ' ' LEU . 2.4 t70 -60.35 -20.72 60.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 73.11 110.89 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -75.47 -29.36 59.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 54.35 110.883 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 79.4 mm-40 -99.34 -34.24 10.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 63.4 110.867 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -68.6 -38.62 80.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.41 110.865 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -13.64 60.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 60.2 110.893 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 p -77.97 -9.7 59.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 74.21 111.094 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.423 ' HB ' HD21 ' A' ' 23' ' ' LEU . 4.0 mt -102.7 127.55 29.94 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.628 0.728 . . . . 65.15 111.151 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 148.67 65.94 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.7 2.267 . . . . 63.04 112.395 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -56.36 -24.15 42.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 73.55 110.921 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -63.1 -20.41 65.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 74.03 110.886 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -102.24 -36.82 8.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 72.34 110.92 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.423 HD21 ' HB ' ' A' ' 18' ' ' ILE . 8.6 mt -73.25 -53.01 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 71.3 110.936 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.94 -89.38 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 73.4 112.46 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -118.08 23.86 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 71.22 110.886 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.404 HD23 ' CB ' ' A' ' 30' ' ' MET . 0.2 OUTLIER -97.07 176.2 6.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.912 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -155.19 165.01 38.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 72.11 111.153 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.771 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -51.65 -40.99 61.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 42.44 110.913 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.01 -41.74 97.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.9 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.404 ' CB ' HD23 ' A' ' 26' ' ' LEU . 2.6 mtt -62.68 -43.0 99.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 60.35 110.862 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.897 ' HB3' HD11 ' A' ' 10' ' ' ILE . 69.3 mtp -75.69 -35.28 60.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 71.11 110.893 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -57.88 -43.16 85.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 64.22 110.826 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.713 ' OE1' HD22 ' A' ' 97' ' ' LEU . 7.6 pt-20 -78.07 -34.67 50.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.901 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.596 ' HA ' HD21 ' A' ' 93' ' ' LEU . 43.8 mt -65.57 -47.03 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 71.11 111.15 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.783 HG22 HD11 ' A' ' 108' ' ' LEU . 16.6 t -73.24 -27.27 23.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 72.32 111.152 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 t -74.88 -53.76 8.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 60.44 110.847 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -59.82 -49.66 76.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 71.22 110.931 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.583 ' HA ' HD12 ' A' ' 89' ' ' ILE . 13.1 ttt -57.91 -45.26 86.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 71.51 110.88 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.676 ' HB2' HG23 ' A' ' 7' ' ' VAL . 52.0 t0 -62.76 -29.31 70.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.853 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -67.6 -52.24 40.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 75.41 110.804 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.503 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -66.14 -36.02 82.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.889 -179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -75.37 -28.66 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 71.21 110.894 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.471 ' N ' HD11 ' A' ' 6' ' ' ILE . 5.1 tpt -71.67 -42.82 67.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 73.23 110.842 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -70.5 -36.99 74.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 42.11 110.892 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -63.9 -53.26 53.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 74.5 110.908 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.7 t -61.32 -26.75 68.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 73.45 110.864 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -28.55 62.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 72.12 110.863 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.4 mt -79.48 -32.66 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 64.12 111.188 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.446 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.7 mt -64.55 -19.53 65.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 72.53 110.889 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.88 36.71 2.07 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.805 -0.712 . . . . 54.32 112.504 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.11 145.24 30.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 71.12 110.888 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.71 148.91 37.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 73.01 111.17 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -61.75 -20.19 63.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 42.3 110.902 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -64.33 -37.53 87.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 70.11 110.867 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.442 ' O ' HG23 ' A' ' 57' ' ' THR . 1.7 mm100 -94.93 -31.67 13.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 63.52 110.914 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.403 HD23 ' C ' ' A' ' 56' ' ' LEU . 9.0 tt -61.21 128.68 37.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 74.34 110.851 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 55' ' ' GLN . 27.3 p -131.01 -173.6 3.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 60.34 111.095 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.1 ttm-85 -51.89 -38.85 57.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.888 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.545 ' O ' HG13 ' A' ' 63' ' ' VAL . 0.8 OUTLIER -51.52 -33.3 31.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 63.41 110.827 -179.79 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' OD1' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -73.99 -34.79 64.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 70.34 110.881 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.26 -30.99 48.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 73.12 110.848 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.96 -34.61 64.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 53.22 110.887 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 59' ' ' SER . 34.1 m -79.87 -42.63 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.03 111.14 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.467 ' N ' HG23 ' A' ' 63' ' ' VAL . 3.2 mp -63.0 -48.05 80.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.896 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.22 -44.39 79.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 64.23 110.859 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -64.75 -43.89 91.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 61.54 110.913 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 27.4 m0 -68.2 -35.56 78.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.201 -0.454 . . . . 72.04 110.896 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -24.28 44.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 72.51 110.851 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -74.28 -42.77 59.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 74.51 110.866 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 71' ' ' GLU . 2.8 pp -76.1 -38.86 56.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.921 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.614 ' N ' HD12 ' A' ' 70' ' ' LEU . 1.7 pp20? -67.07 -31.24 71.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 60.01 110.885 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.4 ptm -85.55 -19.69 30.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 65.15 110.89 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.35 0.15 42.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 75.54 110.887 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.403 ' HB1' ' CB ' ' A' ' 119' ' ' CYS . . . -73.68 0.42 12.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 62.24 111.114 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 83.6 mtt-85 55.05 57.89 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.857 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -160.1 156.42 26.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.928 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.95 97.95 8.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 64.03 110.883 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.633 HD11 ' SG ' ' A' ' 119' ' ' CYS . 6.4 mp -99.38 111.2 60.76 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.639 0.733 . . . . 72.32 110.955 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -26.6 27.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.647 2.231 . . . . 61.33 112.346 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.654 HG21 ' CD1' ' A' ' 126' ' ' TYR . 2.6 t -83.21 157.42 22.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 65.3 111.161 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 58.0 m -115.84 -28.21 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 53.24 111.179 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 82' ' ' LEU . 10.8 mt -96.09 73.33 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 71.22 110.876 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.648 ' HD2' HG23 ' A' ' 80' ' ' THR . 6.5 p90 -129.12 160.4 32.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 70.01 110.915 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -133.32 174.71 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 71.0 110.861 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.532 HD12 ' OG1' ' A' ' 87' ' ' THR . 22.9 pt -111.95 159.49 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 65.2 111.134 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.0 -25.69 59.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.845 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.532 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -70.73 -8.08 49.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 73.3 111.189 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.71 0.57 16.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 73.22 110.849 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 38' ' ' MET . 19.4 mm -123.36 -41.31 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 74.33 111.136 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.52 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 12.4 ttt-85 -56.25 -58.38 16.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.665 0.745 . . . . 74.44 110.842 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.4 Cg_endo -69.73 12.2 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.69 2.26 . . . . 74.41 112.323 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.409 ' H ' ' C ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -114.53 -23.62 9.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.884 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.596 HD21 ' HA ' ' A' ' 34' ' ' ILE . 25.5 mt -71.14 -113.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 72.02 110.919 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.55 136.39 50.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 64.43 110.896 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.19 -22.28 66.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 75.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -101.02 -3.47 29.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.51 110.868 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.713 HD22 ' OE1' ' A' ' 33' ' ' GLU . 37.3 tp -65.95 -18.82 65.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.931 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.487 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 13.0 mmt180 64.43 157.55 0.12 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.645 0.736 . . . . 73.52 110.863 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.487 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.4 Cg_endo -69.8 71.64 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.65 2.233 . . . . 74.15 112.393 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.0 m -97.71 -16.14 20.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 62.32 110.883 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.502 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -50.81 -49.86 57.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 73.55 110.889 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.04 -23.12 12.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 51.42 111.102 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.59 -23.0 17.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 73.33 110.894 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.29 -14.54 40.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 71.11 111.091 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.636 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.9 mm -45.82 -52.24 26.18 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.661 0.743 . . . . 64.43 111.129 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.75 -28.98 24.65 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 73.11 112.317 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.448 ' HB2' ' HE3' ' A' ' 31' ' ' MET . 8.1 m -75.89 -16.93 59.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 72.31 110.871 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.783 HD11 HG22 ' A' ' 35' ' ' VAL . 2.3 mm? -90.92 -37.56 13.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.884 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.408 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 10.2 ptt85 -83.29 -28.83 28.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 75.12 110.874 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -56.51 -22.65 34.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.897 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.512 HD12 ' CD ' ' A' ' 113' ' ' ARG . 12.1 pt -99.26 -8.25 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 72.22 111.139 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 72.92 58.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 73.34 110.838 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.512 ' CD ' HD12 ' A' ' 111' ' ' ILE . 60.8 mtt180 -123.17 -40.15 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 75.15 110.887 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.3 pp -149.13 161.9 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 65.41 111.088 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -127.01 178.28 6.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.847 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.43 127.72 32.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 64.21 110.896 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.07 105.11 13.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 62.42 110.886 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.0 tpp85 -73.74 102.97 4.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 61.53 110.865 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.633 ' SG ' HD11 ' A' ' 78' ' ' LEU . 8.5 m -115.85 82.03 1.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.883 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.54 -139.02 34.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 63.55 112.487 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 1.78 4.16 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.724 2.283 . . . . 72.12 112.29 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.3 mp -119.75 177.89 4.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 73.51 110.918 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.4 m -157.61 125.77 5.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 64.35 111.136 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.483 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 68.2 m-85 -106.71 173.41 6.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 73.24 110.887 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -150.11 129.04 12.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 73.03 110.932 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.654 ' CD1' HG21 ' A' ' 80' ' ' THR . 5.5 p90 -121.01 147.11 45.63 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.664 0.745 . . . . 73.22 110.944 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 80.68 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 71.44 112.384 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 47.55 88.56 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 73.15 112.482 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.07 114.87 11.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.817 0.342 . . . . 71.32 110.847 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.827 -179.804 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 ptm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.784 0.326 . . . . 72.14 110.865 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.548 ' OD1' HG23 ' A' ' 4' ' ' ILE . 10.5 p30 -103.84 171.65 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 60.02 110.882 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.72 103.26 15.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 71.52 110.87 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.548 HG23 ' OD1' ' A' ' 2' ' ' ASN . 1.2 pp -117.59 155.81 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 71.11 111.124 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -60.66 146.5 45.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.854 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.751 HD13 ' HB3' ' A' ' 42' ' ' LEU . 3.0 mp -93.89 -35.7 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 74.01 111.119 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.414 ' O ' HG23 ' A' ' 7' ' ' VAL . 22.7 m -151.81 120.67 3.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.642 0.734 . . . . 73.53 111.107 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -168.97 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.695 2.263 . . . . 71.55 112.335 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -95.88 170.44 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 53.2 110.973 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.847 HD11 ' HB3' ' A' ' 31' ' ' MET . 10.9 pt -115.99 121.29 67.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 75.52 111.123 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.32 -167.44 1.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 61.11 111.17 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.684 ' HA ' HD11 ' A' ' 28' ' ' LEU . 5.1 t70 -59.19 -20.12 51.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 64.12 110.896 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -82.77 -29.18 29.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 71.41 110.885 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -92.6 -37.92 12.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 73.54 110.872 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.466 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 10.8 t80 -68.65 -36.1 78.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 73.42 110.915 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -12.27 59.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 70.12 110.875 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.8 p -77.5 -10.03 59.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 63.02 111.124 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.477 ' HB ' HD21 ' A' ' 23' ' ' LEU . 2.7 mp -108.53 128.0 26.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.636 0.731 . . . . 74.14 111.14 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 152.67 69.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 71.31 112.376 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -20.84 57.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 73.43 110.941 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -63.74 -24.88 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 64.43 110.874 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -99.99 -39.54 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 70.23 110.912 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.477 HD21 ' HB ' ' A' ' 18' ' ' ILE . 13.8 mt -69.17 -54.22 16.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 64.21 110.939 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.31 -87.74 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.742 . . . . 60.1 112.487 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 -117.98 19.95 13.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 73.25 110.892 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.585 HD12 ' HB3' ' A' ' 103' ' ' LYS . 0.3 OUTLIER -89.08 158.87 17.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 70.54 110.959 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.1 m -136.63 154.41 50.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.106 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.684 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -50.09 -41.53 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 75.23 110.905 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.71 -38.32 87.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 51.0 110.839 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.455 ' HB2' HD23 ' A' ' 26' ' ' LEU . 2.1 mtt -64.43 -46.39 83.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 63.43 110.845 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.847 ' HB3' HD11 ' A' ' 10' ' ' ILE . 58.8 mtp -75.2 -32.22 61.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 64.21 110.915 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -60.53 -40.95 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 73.21 110.888 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.602 ' OE2' HD13 ' A' ' 97' ' ' LEU . 13.2 pt-20 -81.65 -27.7 33.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 72.4 110.893 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.656 HG23 ' CE2' ' A' ' 101' ' ' PHE . 34.2 mt -72.06 -47.67 53.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 72.45 111.103 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 31' ' ' MET . 21.1 t -73.52 -36.11 46.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 32.23 111.122 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 t -64.02 -51.89 62.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 62.12 110.876 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -39.27 94.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.23 110.893 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -46.22 83.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 62.44 110.848 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -66.96 -30.8 71.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 61.31 110.847 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.51 -57.81 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 65.43 110.854 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.54 ' HD2' HD11 ' A' ' 89' ' ' ILE . 9.2 t80 -60.29 -47.78 84.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 71.14 110.892 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.751 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -62.9 -31.05 72.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 63.12 110.91 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.669 ' HA ' HD11 ' A' ' 6' ' ' ILE . 64.9 ttp -66.18 -39.06 89.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 74.51 110.879 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.635 ' O ' HD12 ' A' ' 48' ' ' ILE . 4.6 ptmt -71.32 -36.52 71.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.931 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -63.05 -52.78 61.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 33.03 110.871 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 t -64.03 -25.24 68.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 53.14 110.852 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -28.86 62.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 61.4 110.891 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 44' ' ' LYS . 4.9 mt -83.32 -31.96 8.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 72.1 111.136 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.458 ' N ' HD23 ' A' ' 49' ' ' LEU . 4.3 mt -61.04 -19.51 61.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.872 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.73 -27.58 4.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 44.03 112.469 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -63.24 -173.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 74.04 110.874 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.7 p -135.55 -175.61 4.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 64.22 111.157 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -64.35 -17.97 64.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 74.34 110.849 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.4 -44.55 71.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.879 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -87.87 -32.55 18.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 75.23 110.975 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.556 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.8 tt -50.82 124.29 10.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.878 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.84 -173.18 2.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 45.32 111.118 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.3 mtm-85 -54.65 -50.11 68.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 71.43 110.835 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.583 ' O ' HG13 ' A' ' 63' ' ' VAL . 4.2 m -60.58 -26.06 66.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 73.55 110.864 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -74.9 -32.64 61.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 72.25 110.878 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.556 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -75.17 -38.45 60.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.828 -179.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.63 -38.6 77.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 72.55 110.896 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 59' ' ' SER . 27.0 m -71.0 -40.13 75.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 75.31 111.129 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -63.71 -42.58 97.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 75.54 110.919 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.36 -37.59 87.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 64.14 110.853 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -74.44 -41.51 60.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 72.4 110.922 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -51.88 67.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.905 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -22.37 61.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 73.33 110.872 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -67.98 -45.78 73.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 73.21 110.876 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.711 HD22 ' CG2' ' A' ' 85' ' ' ILE . 3.5 pp -75.92 -33.45 59.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.1 110.93 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.694 ' N ' HD12 ' A' ' 70' ' ' LEU . 18.8 tp10 -71.31 -27.68 63.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 53.31 110.899 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.0 ptm -89.03 -23.22 22.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 73.44 110.867 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HD2' HD11 ' A' ' 122' ' ' LEU . 0.1 OUTLIER -86.35 -12.52 49.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 72.15 110.928 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.5 ' HB2' ' HZ ' ' A' ' 124' ' ' PHE . . . -71.27 -1.93 14.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 64.1 111.06 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 46.84 45.35 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 74.13 110.851 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 tptt -179.17 124.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 71.31 110.923 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -79.71 90.8 5.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 71.01 110.869 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 124' ' ' PHE . 2.5 mp -54.54 158.83 3.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.637 0.732 . . . . 72.31 110.884 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -49.2 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.736 2.29 . . . . 62.02 112.328 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.73 169.46 10.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 74.41 111.113 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.7 t -124.56 -32.26 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 75.01 111.153 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.477 ' HB3' HD11 ' A' ' 42' ' ' LEU . 28.1 mt -75.02 71.67 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 72.31 110.938 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.548 ' CA ' HD21 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -136.71 -174.32 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.3 110.894 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.738 ' HD2' HD23 ' A' ' 42' ' ' LEU . 3.6 p90 -159.14 163.61 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 70.23 110.924 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.711 ' CG2' HD22 ' A' ' 70' ' ' LEU . 39.3 pt -101.61 142.54 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.04 111.132 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.17 -25.84 59.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 71.25 110.897 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.82 -7.57 53.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 73.32 111.145 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -101.24 -20.2 15.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.898 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.54 HD11 ' HD2' ' A' ' 41' ' ' PHE . 18.4 mm -105.42 -32.49 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 72.5 111.131 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.486 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 1.6 mtp-105 -47.2 -60.87 3.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 74.31 110.858 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.0 Cg_endo -69.72 5.12 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.676 2.251 . . . . 71.2 112.346 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.05 -35.4 6.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 44.05 110.915 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.3 mt -61.5 -112.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 54.12 110.894 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.511 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 4.1 tt0 -139.28 143.28 37.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 74.25 110.941 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.67 -39.87 91.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 53.03 110.875 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -90.3 21.37 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.857 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.602 HD13 ' OE2' ' A' ' 33' ' ' GLU . 8.1 tp -79.69 -23.88 42.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 60.01 110.934 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.7 mtt-85 64.03 164.89 0.12 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.576 0.703 . . . . 74.45 110.863 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 71.84 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.254 . . . . 71.01 112.333 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.51 -31.89 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 64.05 110.882 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.656 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -50.3 -53.87 25.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 74.44 110.887 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.05 -22.44 15.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 63.45 111.095 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.585 ' HB3' HD12 ' A' ' 26' ' ' LEU . 12.3 mptt -95.44 -19.28 20.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 61.12 110.855 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.41 -18.51 23.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 73.15 111.132 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.638 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 6.8 mm -47.18 -51.95 38.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 70.42 111.126 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.75 -20.01 35.42 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.668 2.246 . . . . 74.1 112.334 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 12.9 m -85.65 -25.47 26.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 64.4 110.895 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.5 HD23 ' N ' ' A' ' 108' ' ' LEU . 2.5 mt -78.88 -32.08 45.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 70.32 110.913 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -82.49 -32.64 28.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.815 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -57.86 -19.68 30.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 62.25 110.879 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.632 HD12 ' CD ' ' A' ' 113' ' ' ARG . 12.0 pt -102.8 -12.66 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 65.33 111.124 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 68.48 54.07 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 52.34 110.902 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.632 ' CD ' HD12 ' A' ' 111' ' ' ILE . 27.3 mtp85 -118.29 -26.76 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.865 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.571 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.6 pp -147.79 175.98 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 72.03 111.141 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.571 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.4 OUTLIER -137.02 170.74 15.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.856 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.49 ' HG2' HG23 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -148.3 126.88 12.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.876 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -113.41 104.02 11.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 72.22 110.902 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.62 102.99 2.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 72.45 110.839 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 5.1 m -118.26 82.03 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.847 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 66.76 -139.71 37.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 70.53 112.474 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 54.2 Cg_endo -69.7 1.74 4.13 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.26 . . . . 60.42 112.335 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.443 HD11 ' HD2' ' A' ' 73' ' ' LYS . 5.4 mt -118.0 177.06 4.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 75.01 110.87 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.0 m -161.72 121.6 2.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 72.34 111.105 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.5 ' HZ ' ' HB2' ' A' ' 74' ' ' ALA . 12.2 m-85 -96.01 167.68 11.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 63.33 110.898 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -150.35 117.41 5.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 64.43 110.933 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -122.37 161.04 45.41 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.636 0.731 . . . . 75.22 110.954 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.52 ' HB3' HG22 ' A' ' 6' ' ' ILE . 53.8 Cg_endo -69.67 95.23 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 72.43 112.363 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 52.99 -173.4 0.35 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.787 -0.72 . . . . 65.13 112.528 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.5 t -110.8 -29.33 8.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 65.15 110.84 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 74.12 110.877 -179.829 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.5 mmm . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.793 0.33 . . . . 53.22 110.892 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 61.85 36.42 16.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 44.43 110.924 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -123.85 103.79 8.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.34 110.832 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.532 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -119.87 156.75 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 44.4 111.138 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.27 165.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 71.2 110.88 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.471 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -116.58 -22.69 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 72.32 111.171 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.72 HG23 ' HB2' ' A' ' 39' ' ' ASP . 14.1 m -153.31 98.67 2.71 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.573 0.701 . . . . 65.43 111.09 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.3 Cg_endo -69.82 157.28 60.79 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 73.44 112.317 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.93 171.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 63.05 110.91 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.84 HD11 ' HB3' ' A' ' 31' ' ' MET . 8.2 pt -121.0 121.85 66.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 61.31 111.146 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.87 -166.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 72.41 111.153 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.811 ' HA ' HD11 ' A' ' 28' ' ' LEU . 2.9 t70 -64.75 -19.9 66.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.4 110.848 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -82.64 -30.23 29.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 74.23 110.902 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -92.87 -33.99 14.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 74.33 110.869 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.513 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 18.3 t80 -72.1 -35.87 69.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 64.45 110.836 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -67.05 -11.16 56.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 72.43 110.894 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p -76.73 -8.44 57.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 72.3 111.123 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.427 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.0 mp -107.52 129.72 23.84 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 65.54 111.138 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 148.07 64.12 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.718 2.279 . . . . 62.24 112.323 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -56.51 -24.05 43.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.887 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -62.9 -22.21 66.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.905 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -100.27 -38.23 8.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 62.15 110.887 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.513 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 12.4 mt -70.06 -54.22 14.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 73.32 110.94 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 64.4 -90.15 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 61.13 112.492 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -114.29 23.17 13.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.824 0.345 . . . . 72.43 110.901 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' HB3' ' A' ' 103' ' ' LYS . 0.2 OUTLIER -97.96 156.27 16.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 73.4 110.911 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 28' ' ' LEU . 4.8 m -135.08 159.48 41.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 41.34 111.145 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.811 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -49.25 -44.49 43.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 64.02 110.914 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.16 -36.49 79.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.862 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.79 ' HA ' HD11 ' A' ' 97' ' ' LEU . 1.5 mmt -64.65 -47.98 76.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 63.23 110.865 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.84 ' HB3' HD11 ' A' ' 10' ' ' ILE . 95.3 mtp -74.93 -31.19 61.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.848 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -59.92 -48.07 83.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 65.13 110.927 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.717 ' OE2' HD22 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -75.93 -26.2 56.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 73.02 110.896 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.489 HG23 ' CZ ' ' A' ' 101' ' ' PHE . 34.2 mt -72.68 -52.24 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 74.35 111.151 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 31' ' ' MET . 12.5 t -66.58 -28.13 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 62.24 111.181 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -42.41 64.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 72.22 110.878 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.654 ' HG3' HD23 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -65.11 -58.1 6.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 71.11 110.881 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.41 -41.7 66.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 73.45 110.862 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.72 ' HB2' HG23 ' A' ' 7' ' ' VAL . 45.7 t0 -64.22 -30.9 71.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 63.31 110.855 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -66.31 -49.52 66.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 71.42 110.879 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.55 -50.42 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.873 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.702 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -63.19 -29.04 70.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 64.21 110.935 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.471 ' N ' HD11 ' A' ' 6' ' ' ILE . 40.6 ttp -67.41 -40.54 85.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 71.33 110.879 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.568 ' O ' HD12 ' A' ' 48' ' ' ILE . 1.7 ptmm? -70.34 -35.2 73.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 61.21 110.922 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -64.18 -53.14 54.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 71.43 110.929 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -62.03 -27.14 68.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 71.14 110.849 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -29.05 62.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.893 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 44' ' ' LYS . 5.7 mt -79.45 -32.04 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.52 111.114 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.528 HD11 HD21 ' A' ' 82' ' ' LEU . 5.7 mt -64.11 -19.08 65.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 72.14 110.893 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -106.67 -36.5 2.59 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 54.34 112.474 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -178.4 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 71.25 110.913 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.67 HG23 ' H ' ' A' ' 54' ' ' LYS . 14.8 t -125.72 173.74 8.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 60.52 111.165 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -56.42 -25.98 51.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 73.52 110.928 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.67 ' H ' HG23 ' A' ' 52' ' ' THR . 47.0 mtpt -65.31 -42.08 93.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.886 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -82.76 -35.83 26.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 75.21 110.908 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.719 HD21 ' HD2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -49.92 130.05 21.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 73.13 110.922 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.64 -173.61 2.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 62.52 111.155 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -50.9 -52.68 39.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 55.12 110.898 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.593 ' O ' HG13 ' A' ' 63' ' ' VAL . 4.3 m -55.97 -31.17 62.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 75.23 110.873 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -74.59 -33.68 62.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 65.41 110.883 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.719 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -75.98 -35.86 59.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.89 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.27 -35.63 71.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 62.21 110.867 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 59' ' ' SER . 28.4 m -75.17 -38.86 42.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 63.12 111.093 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.537 HD12 ' HE3' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -65.25 -45.65 83.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 63.53 110.92 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.15 -35.73 80.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 63.11 110.897 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -73.97 -41.59 61.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 61.2 110.851 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.537 ' HE3' HD12 ' A' ' 64' ' ' LEU . 13.6 m0 -60.0 -42.26 93.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.902 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.92 -23.86 58.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.81 -42.75 60.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 71.45 110.867 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.73 HD22 ' CG2' ' A' ' 85' ' ' ILE . 2.8 pp -73.8 -37.96 64.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 64.03 110.906 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.617 ' N ' HD12 ' A' ' 70' ' ' LEU . 3.5 tm-20 -66.75 -34.08 77.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 52.54 110.889 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 12.1 ptm -88.49 -12.3 43.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.835 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -87.4 -20.28 26.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 72.2 110.91 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.525 ' HB1' ' HB3' ' A' ' 119' ' ' CYS . . . -73.56 -0.4 15.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 74.33 111.153 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 48.1 55.55 8.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.888 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 177.64 129.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 52.43 110.866 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -81.89 90.78 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 74.52 110.896 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.552 HD21 ' CD1' ' A' ' 124' ' ' PHE . 5.6 mp -56.13 159.01 6.4 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.635 0.731 . . . . 65.12 110.914 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -48.43 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.68 2.254 . . . . 61.33 112.381 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.36 160.43 16.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 72.34 111.103 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.1 m -119.24 -10.62 9.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 73.31 111.118 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.528 HD21 HD11 ' A' ' 49' ' ' LEU . 11.7 mt -101.03 74.85 1.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 54.41 110.946 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.04 -174.91 3.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 75.21 110.887 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.702 ' HD2' HD23 ' A' ' 42' ' ' LEU . 4.4 p90 -154.17 160.53 41.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 74.33 110.852 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.73 ' CG2' HD22 ' A' ' 70' ' ' LEU . 29.0 pt -99.97 142.65 15.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 64.34 111.126 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.39 -21.09 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 74.31 110.903 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -8.25 52.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 74.41 111.119 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -114.38 0.36 14.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 72.01 110.892 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -123.37 -35.44 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 73.53 111.091 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.52 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 11.4 ttm180 -48.81 -58.48 8.38 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.738 . . . . 71.54 110.9 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.71 6.17 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.728 2.285 . . . . 73.14 112.345 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.25 -27.46 10.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 73.51 110.862 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.717 HD22 ' OE2' ' A' ' 33' ' ' GLU . 22.2 mt -63.94 -112.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 71.51 110.925 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.446 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 2.4 mt-30 -142.63 125.84 16.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 54.53 110.911 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -63.91 -17.25 63.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 74.14 110.865 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -101.14 -6.91 23.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 75.02 110.839 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.79 HD11 ' HA ' ' A' ' 30' ' ' MET . 12.4 tp -69.61 -18.16 63.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 43.51 110.9 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 65.08 164.51 0.12 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.56 0.695 . . . . 74.15 110.883 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 70.17 1.6 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.704 2.269 . . . . 61.4 112.323 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.42 -23.31 16.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 52.35 110.848 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.489 ' CZ ' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -51.6 -50.92 59.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.907 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.68 -21.95 12.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 51.32 111.08 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.454 ' HB3' HD12 ' A' ' 26' ' ' LEU . 4.3 mptp? -97.78 -20.33 17.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 74.21 110.944 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.36 -17.06 31.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 51.03 111.077 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.635 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 10.7 mm -46.32 -52.41 28.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 51.22 111.132 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.8 Cg_endo -69.79 -28.82 24.64 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.674 2.25 . . . . 74.24 112.352 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.414 ' HB2' ' HE3' ' A' ' 31' ' ' MET . 11.1 m -76.16 -18.12 59.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.903 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.687 HD11 HG22 ' A' ' 35' ' ' VAL . 3.4 mm? -91.5 -35.92 14.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 74.51 110.923 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.42 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 10.5 ptt180 -83.51 -29.45 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 63.24 110.85 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -56.64 -21.21 25.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 63.33 110.84 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 11.5 pt -102.88 -7.86 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.44 111.135 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.27 56.9 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 75.34 110.853 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.45 ' HG3' HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -118.43 -31.99 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.891 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.578 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.6 pp -146.59 179.72 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 63.43 111.168 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.578 ' N ' HD12 ' A' ' 114' ' ' ILE . 1.1 mtt180 -143.41 172.54 12.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 75.14 110.877 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.35 126.89 15.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.896 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.59 106.39 14.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 51.53 110.894 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.25 102.48 10.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.889 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.525 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 4.8 m -125.35 97.59 5.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 71.1 110.884 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.403 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 57.58 -149.63 32.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 64.12 112.456 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 40.98 0.31 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.681 2.254 . . . . 64.23 112.329 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.403 ' H ' ' C ' ' A' ' 120' ' ' GLY . 54.2 mt -150.97 169.45 21.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 64.41 110.864 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -152.98 113.05 3.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 70.14 111.145 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.552 ' CD1' HD21 ' A' ' 78' ' ' LEU . 25.9 m-85 -95.82 163.33 13.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 75.51 110.876 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -150.34 118.06 6.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 71.03 110.939 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -121.28 149.27 51.53 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.683 0.754 . . . . 72.44 110.927 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 89.31 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 42.44 112.378 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 48.64 86.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 54.31 112.473 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.23 -34.21 31.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 72.42 110.886 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 40.0 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 72.34 110.873 -179.827 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.803 0.335 . . . . 75.4 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -106.14 175.05 5.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.922 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -112.97 110.55 20.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 71.21 110.885 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.522 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -119.59 155.77 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 73.12 111.16 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.62 159.05 9.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.839 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.526 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -117.45 -22.55 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 63.12 111.162 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.545 HG23 ' HB2' ' A' ' 39' ' ' ASP . 11.8 m -153.16 99.21 2.71 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.642 0.734 . . . . 74.02 111.132 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 54.0 Cg_endo -69.74 173.11 11.44 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.244 . . . . 63.31 112.355 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -71.78 161.76 30.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 75.44 110.922 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.832 HD11 ' HB3' ' A' ' 31' ' ' MET . 17.6 pt -114.93 129.02 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 63.45 111.112 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.443 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -96.61 -171.69 2.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 74.24 111.153 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.744 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -60.19 -21.0 61.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 72.44 110.928 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -72.52 -29.14 63.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 63.52 110.915 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.524 ' O ' HG22 ' A' ' 17' ' ' THR . 5.8 mm-40 -101.46 -45.33 5.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 65.2 110.923 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -55.85 -34.02 65.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 74.51 110.928 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -9.36 58.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 72.2 110.915 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -78.27 -2.4 37.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 72.41 111.127 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.422 HG23 ' HD2' ' A' ' 19' ' ' PRO . 3.4 mp -114.61 132.82 22.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.644 0.735 . . . . 50.14 111.098 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HD2' HG23 ' A' ' 18' ' ' ILE . 53.3 Cg_endo -69.75 150.03 67.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 73.34 112.343 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -58.41 -24.39 59.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.44 110.898 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -63.69 -20.43 65.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 71.34 110.891 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -104.68 -33.71 8.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 26' ' ' LEU . 82.2 mt -60.5 -59.01 6.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 61.45 110.882 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.94 70.6 1.02 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.734 . . . . 32.23 112.495 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.1 ttp180 67.06 11.59 8.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 71.23 110.863 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 23' ' ' LEU . 1.9 mt -75.27 159.1 31.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.901 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.72 154.28 45.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 52.23 111.129 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.744 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -49.95 -42.19 48.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.863 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.54 -39.8 85.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 51.33 110.871 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 61.8 mtt -64.05 -46.32 84.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 71.23 110.86 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.832 ' HB3' HD11 ' A' ' 10' ' ' ILE . 49.2 mtt -74.27 -31.81 62.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.858 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -60.46 -42.63 96.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 74.01 110.923 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.677 ' OE2' HD13 ' A' ' 97' ' ' LEU . 11.1 pt-20 -79.86 -27.88 40.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 64.4 110.873 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.676 HG22 ' HE3' ' A' ' 38' ' ' MET . 46.3 mt -72.94 -45.89 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 53.54 111.127 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 31' ' ' MET . 21.9 t -74.37 -28.69 23.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 71.44 111.133 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -72.24 -52.89 14.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 63.33 110.823 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.447 ' HB2' HD23 ' A' ' 93' ' ' LEU . 4.2 mmtt -62.39 -50.19 72.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 63.05 110.875 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.676 ' HE3' HG22 ' A' ' 34' ' ' ILE . 7.6 ptp -54.63 -38.14 66.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.891 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.545 ' HB2' HG23 ' A' ' 7' ' ' VAL . 48.6 t0 -68.64 -29.25 67.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 74.04 110.834 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.66 -47.95 65.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.445 . . . . 63.24 110.821 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.02 -40.01 87.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 74.12 110.841 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.783 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -72.39 -32.09 66.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 64.13 110.897 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.526 ' N ' HD11 ' A' ' 6' ' ' ILE . 60.0 ttp -67.54 -41.33 84.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.13 110.874 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' O ' HD12 ' A' ' 48' ' ' ILE . 18.3 ptpt -71.08 -34.41 71.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 72.35 110.925 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.54 ' CG ' HD23 ' A' ' 82' ' ' LEU . 22.2 tptt -63.8 -53.22 54.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.867 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.523 ' HA ' HD21 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -64.17 -24.93 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 63.53 110.858 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -28.87 62.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 51.15 110.878 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 44' ' ' LYS . 8.0 mt -81.92 -31.8 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.123 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.448 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.5 mt -62.62 -19.65 63.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 52.12 110.935 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -108.64 -35.26 2.46 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.729 . . . . 64.1 112.526 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -53.7 174.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 70.05 110.87 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.52 HG23 ' H ' ' A' ' 55' ' ' GLN . 9.0 t -112.51 167.75 10.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 64.23 111.127 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.93 -23.54 65.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 61.11 110.902 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -75.77 -39.7 56.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 74.3 110.888 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.52 ' H ' HG23 ' A' ' 52' ' ' THR . 8.9 tp-100 -82.58 -31.57 28.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.878 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.735 HD21 ' HD2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -51.64 136.51 26.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 50.1 110.896 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.25 -177.39 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 75.21 111.165 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -60.05 -44.23 94.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 71.43 110.86 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.54 ' O ' HG13 ' A' ' 63' ' ' VAL . 39.2 t -58.4 -34.88 71.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.863 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -73.91 -32.45 63.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 65.12 110.896 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.735 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -74.74 -44.36 50.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 73.51 110.913 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -63.71 -41.76 98.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 73.5 110.904 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 59' ' ' SER . 26.8 m -68.42 -37.12 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 65.12 111.105 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.423 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -63.06 -40.58 98.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 53.51 110.897 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.44 -35.62 73.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 65.22 110.831 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -73.75 -45.02 54.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 51.05 110.848 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -61.15 -41.19 96.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.891 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -22.22 58.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 73.54 110.882 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -74.19 -41.27 61.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 61.11 110.896 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.73 HD22 ' CG2' ' A' ' 85' ' ' ILE . 3.0 pp -76.29 -35.88 58.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 70.24 110.934 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.604 ' N ' HD12 ' A' ' 70' ' ' LEU . 6.1 pt-20 -71.12 -26.61 63.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 72.34 110.883 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.8 ptm -89.3 -28.03 20.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 73.03 110.906 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.697 ' HG3' HD11 ' A' ' 122' ' ' LEU . 8.4 ptmm? -81.82 -12.62 58.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 75.4 110.882 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' HB2' ' HZ ' ' A' ' 124' ' ' PHE . . . -72.52 0.74 9.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 61.55 111.112 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 43.48 38.52 1.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 73.04 110.881 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -162.56 120.41 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.908 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 -76.97 91.03 3.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 73.45 110.847 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.543 HD21 ' CD1' ' A' ' 124' ' ' PHE . 1.1 mp -58.52 159.52 12.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.585 0.707 . . . . 72.14 110.913 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -49.48 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.694 2.262 . . . . 71.01 112.313 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.625 HG21 ' CG ' ' A' ' 126' ' ' TYR . 13.4 t -95.92 166.88 11.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 64.04 111.173 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.9 m -120.66 -17.28 8.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 75.11 111.17 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.54 HD23 ' CG ' ' A' ' 45' ' ' LYS . 9.0 mt -87.92 74.71 8.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 71.12 110.908 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.35 -174.22 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 75.42 110.901 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.783 ' HD2' HD23 ' A' ' 42' ' ' LEU . 3.7 p90 -156.47 163.43 39.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 42.35 110.865 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.73 ' CG2' HD22 ' A' ' 70' ' ' LEU . 47.3 pt -100.77 143.16 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.5 . . . . 63.21 111.122 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.66 -26.52 56.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 74.14 110.91 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -6.75 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 60.45 111.133 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.8 -26.89 14.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 75.25 110.892 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.512 HG13 ' CE1' ' A' ' 84' ' ' PHE . 11.9 mm -101.45 -33.7 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 61.33 111.096 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.517 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.3 OUTLIER -48.02 -59.23 6.17 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.648 0.737 . . . . 75.12 110.921 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.4 Cg_endo -69.83 7.61 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.626 2.218 . . . . 55.54 112.36 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.85 -27.47 8.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 71.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 37' ' ' LYS . 45.6 mt -66.41 -116.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 62.4 110.935 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.492 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.7 tt0 -137.31 143.9 42.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 62.33 110.911 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -65.84 -39.15 90.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.878 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -89.51 21.14 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 64.32 110.882 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.677 HD13 ' OE2' ' A' ' 33' ' ' GLU . 11.2 tp -83.99 -19.32 34.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 71.12 110.909 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.406 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 56.7 mmt-85 61.28 161.36 0.11 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.627 0.727 . . . . 72.23 110.853 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.8 Cg_endo -69.8 69.51 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 61.22 112.324 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.3 p -98.54 -24.47 15.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 73.34 110.865 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.548 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -51.35 -52.52 44.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 75.45 110.898 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.4 -21.64 16.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 65.41 111.103 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -96.35 -21.11 17.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 52.43 110.905 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.92 -21.75 27.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 62.34 111.066 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.647 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.5 mm -46.88 -51.43 39.23 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.666 0.746 . . . . 74.23 111.165 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.7 Cg_endo -69.8 -22.95 31.16 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.659 2.239 . . . . 73.32 112.36 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 11.3 m -82.37 -26.41 32.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 64.02 110.902 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.506 HD23 ' N ' ' A' ' 108' ' ' LEU . 2.2 mt -78.98 -39.06 35.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.955 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.07 -29.23 49.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.868 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -56.37 -22.14 29.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.87 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -104.58 -6.66 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 75.4 111.093 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 67.78 56.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.01 110.862 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.06 -30.59 4.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 73.23 110.838 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.561 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.7 pp -144.36 175.41 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 62.12 111.16 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.561 ' N ' HD12 ' A' ' 114' ' ' ILE . 2.0 mtt180 -139.05 175.27 9.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 72.24 110.883 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -155.64 130.69 9.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 63.15 110.911 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.53 119.4 38.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 64.32 110.905 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -86.63 102.89 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 72.25 110.83 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.7 m -126.97 91.17 3.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 43.22 110.879 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.431 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 61.48 -150.26 44.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.779 -0.724 . . . . 35.41 112.449 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 38.79 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.698 2.266 . . . . 73.55 112.309 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.697 HD11 ' HG3' ' A' ' 73' ' ' LYS . 77.5 mt -146.33 166.1 27.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.55 110.893 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -153.29 114.32 4.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 73.23 111.16 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.543 ' CD1' HD21 ' A' ' 78' ' ' LEU . 12.8 m-85 -96.35 168.67 10.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 65.41 110.86 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -153.11 117.86 5.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.904 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.625 ' CG ' HG21 ' A' ' 80' ' ' THR . 0.3 OUTLIER -121.46 153.11 58.88 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.688 0.756 . . . . 75.43 110.897 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 88.73 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.69 2.26 . . . . 71.01 112.346 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 45.61 34.42 5.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 62.51 112.507 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.4 152.08 22.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.874 0.369 . . . . 64.14 110.847 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 36.4 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 64.14 110.829 -179.824 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ttt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.796 0.331 . . . . 65.02 110.873 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -69.21 172.54 6.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 71.04 110.847 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.29 101.56 8.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 74.01 110.859 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.549 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -118.43 154.94 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 64.43 111.151 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.53 149.13 43.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 72.32 110.862 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.758 HD11 ' HA ' ' A' ' 43' ' ' MET . 1.0 OUTLIER -100.9 -31.91 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 71.2 111.141 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 7' ' ' VAL . 15.8 m -149.25 100.52 3.38 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.621 0.724 . . . . 75.34 111.139 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.4 Cg_endo -69.79 162.53 41.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 73.34 112.358 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -61.07 173.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 41.33 110.884 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.87 HD11 ' HB3' ' A' ' 31' ' ' MET . 10.7 pt -122.73 122.43 65.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 71.25 111.134 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.05 -167.27 1.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 75.33 111.097 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.798 ' HA ' HD11 ' A' ' 28' ' ' LEU . 2.8 t70 -63.17 -20.67 65.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.904 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.71 -29.83 29.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 64.41 110.832 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.416 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 56.9 mm-40 -91.73 -35.35 14.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 71.34 110.86 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.421 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 9.0 t80 -71.24 -34.88 71.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 75.5 110.917 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -68.48 -10.96 58.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 73.32 110.902 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 p -77.17 -9.48 58.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 72.14 111.167 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.469 ' HB ' HD21 ' A' ' 23' ' ' LEU . 2.8 mp -106.03 129.47 24.53 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.748 . . . . 75.32 111.145 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 148.61 65.28 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.675 2.25 . . . . 73.1 112.356 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -56.82 -23.92 47.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 62.22 110.878 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -62.9 -22.86 67.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 73.34 110.92 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -99.73 -38.18 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 65.42 110.894 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.469 HD21 ' HB ' ' A' ' 18' ' ' ILE . 13.0 mt -70.51 -52.95 18.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 63.14 110.943 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.66 -89.21 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 74.44 112.476 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -117.42 23.49 11.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.808 0.337 . . . . 61.2 110.854 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.71 165.4 12.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 71.22 110.885 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -143.89 162.17 36.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 73.23 111.102 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.798 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -50.74 -40.91 55.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 63.44 110.947 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.03 -41.7 98.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.851 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 41.9 mtt -61.88 -44.37 96.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 62.31 110.897 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.87 ' HB3' HD11 ' A' ' 10' ' ' ILE . 76.8 mtp -75.96 -34.2 59.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 43.53 110.919 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -57.92 -40.44 80.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 73.02 110.862 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.757 ' OE1' HD22 ' A' ' 97' ' ' LEU . 12.9 pt-20 -80.84 -35.64 32.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 72.42 110.873 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.699 HG23 ' CE2' ' A' ' 101' ' ' PHE . 50.9 mt -64.66 -46.31 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 75.03 111.119 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.698 HG22 HD11 ' A' ' 108' ' ' LEU . 14.3 t -74.77 -28.64 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.22 111.15 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -72.43 -53.37 12.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 63.24 110.83 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -62.24 -49.77 74.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 73.35 110.89 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.546 ' HA ' HD12 ' A' ' 89' ' ' ILE . 14.9 tpt -54.52 -45.68 73.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 53.25 110.902 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.505 ' HB2' HG23 ' A' ' 7' ' ' VAL . 37.0 t0 -65.13 -29.33 70.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 75.5 110.812 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -64.6 -57.14 9.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 71.24 110.835 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CG ' ' CE2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -58.71 -47.81 83.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 65.11 110.877 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.748 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -62.56 -35.65 80.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 62.33 110.912 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.758 ' HA ' HD11 ' A' ' 6' ' ' ILE . 63.5 ttp -61.92 -37.3 84.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 72.41 110.91 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.475 ' O ' HD12 ' A' ' 48' ' ' ILE . 1.9 tptt -70.99 -48.19 54.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.947 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.457 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -51.45 -52.53 45.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 63.31 110.912 179.84 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 t -62.44 -35.38 79.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 74.14 110.857 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -27.3 62.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 72.24 110.845 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.572 HG23 ' OD2' ' A' ' 60' ' ' ASP . 6.6 mt -77.64 -31.11 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.427 . . . . 73.51 111.107 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.643 HD11 HD21 ' A' ' 82' ' ' LEU . 5.4 mt -62.21 -26.43 68.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 63.34 110.936 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -102.69 -32.13 4.91 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.77 -0.728 . . . . 65.3 112.46 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 171.62 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.828 0.346 . . . . 74.52 110.886 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.56 HG23 ' H ' ' A' ' 54' ' ' LYS . 15.3 t -118.05 172.13 7.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.32 111.158 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -56.92 -27.02 60.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 74.35 110.842 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.56 ' H ' HG23 ' A' ' 52' ' ' THR . 53.5 mtpt -63.15 -46.77 85.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 71.01 110.868 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.607 ' O ' HG23 ' A' ' 57' ' ' THR . 10.7 mm100 -82.42 -33.35 28.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 75.52 110.933 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.764 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -49.58 122.5 6.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 75.51 110.933 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 55' ' ' GLN . 28.7 p -120.86 -172.43 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 74.41 111.107 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -50.28 -53.75 26.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 71.14 110.879 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.549 ' O ' HG13 ' A' ' 63' ' ' VAL . 10.0 t -56.99 -30.06 63.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 73.2 110.827 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.572 ' OD2' HG23 ' A' ' 48' ' ' ILE . 16.0 t0 -73.7 -37.05 65.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.814 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.764 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -78.12 -36.79 47.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 71.31 110.86 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.62 -40.4 88.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.86 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 59' ' ' SER . 32.0 m -72.48 -43.13 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 73.12 111.084 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.465 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.5 OUTLIER -60.47 -44.95 95.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 70.43 110.934 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -38.55 90.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.814 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -71.19 -46.69 60.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 73.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -43.34 73.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 73.41 110.916 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -72.97 -23.25 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 74.52 110.859 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -73.78 -38.69 64.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 71.31 110.895 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.8 mt -76.47 -35.26 58.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.5 110.897 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -71.2 -27.0 63.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 70.14 110.869 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.7 ptm -89.41 -25.05 21.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 64.32 110.863 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.02 -10.88 51.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 74.54 110.875 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.66 -0.6 13.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 62.31 111.104 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 48.39 30.6 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 74.04 110.841 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.2 tptt 179.72 138.12 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 73.02 110.95 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 48.5 mmt-85 -79.16 96.25 5.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 73.4 110.902 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.469 HD11 ' SG ' ' A' ' 119' ' ' CYS . 4.4 mp -49.1 154.62 1.31 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.567 0.699 . . . . 73.13 110.955 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.64 24.11 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 74.03 112.348 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.687 HG21 ' CG ' ' A' ' 126' ' ' TYR . 0.7 OUTLIER -124.78 151.72 44.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.34 111.168 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.1 m -107.93 -22.45 12.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 73.04 111.144 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.643 HD21 HD11 ' A' ' 49' ' ' LEU . 28.3 mt -103.4 65.99 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.893 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.545 ' HD2' HG23 ' A' ' 80' ' ' THR . 8.2 p90 -121.86 155.63 34.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 52.32 110.861 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.445 ' CE2' ' CG ' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -128.48 176.84 7.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 71.05 110.874 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.587 HD12 ' OG1' ' A' ' 87' ' ' THR . 30.9 pt -118.24 149.29 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 73.23 111.099 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.36 -28.62 69.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 73.24 110.938 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.587 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -67.96 -9.3 44.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 63.43 111.104 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.1 2.71 18.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 73.24 110.848 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 38' ' ' MET . 23.8 mm -124.41 -41.05 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 74.44 111.163 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.484 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.0 OUTLIER -56.75 -60.4 9.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.645 0.736 . . . . 75.01 110.887 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.1 Cg_endo -69.75 19.72 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.729 2.286 . . . . 51.15 112.295 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.475 ' H ' ' C ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -120.73 -26.2 5.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 52.32 110.88 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' A' ' 34' ' ' ILE . 8.8 mt -72.62 -121.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.912 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.486 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 4.2 tt0 -122.48 145.71 48.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 71.31 110.919 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -68.06 -35.91 79.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.867 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -89.2 14.16 11.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 65.11 110.872 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.757 HD22 ' OE1' ' A' ' 33' ' ' GLU . 13.8 tp -77.18 -22.34 52.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.926 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 64.38 163.9 0.12 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.616 0.722 . . . . 74.33 110.854 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 69.62 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.683 2.255 . . . . 64.44 112.343 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 81.5 p -98.06 -25.45 14.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 60.14 110.872 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.699 ' CE2' HG23 ' A' ' 34' ' ' ILE . 1.2 t80 -50.93 -51.56 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 73.22 110.871 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.0 -22.97 11.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 74.41 111.067 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -97.87 -19.97 17.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 75.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.82 -18.99 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 54.42 111.069 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.639 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 19.7 mm -46.98 -51.56 39.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.603 0.716 . . . . 72.25 111.151 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.82 -29.81 23.01 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.698 2.265 . . . . 62.13 112.279 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 8.3 m -74.9 -20.14 59.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 71.13 110.872 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.698 HD11 HG22 ' A' ' 35' ' ' VAL . 2.8 mm? -88.47 -41.44 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 72.35 110.927 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.447 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 13.0 ptm180 -77.04 -32.28 56.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 72.55 110.859 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -55.9 -22.74 27.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 62.25 110.878 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 24.8 pt -104.43 -9.1 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 63.23 111.131 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.52 56.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 75.3 110.86 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.8 -36.08 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 73.33 110.882 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.526 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.3 pp -148.21 -179.03 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 73.25 111.143 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.526 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.4 OUTLIER -143.8 176.28 9.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.896 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 124' ' ' PHE . 2.9 pm0 -144.84 133.65 22.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 72.51 110.927 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.79 105.3 13.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 75.53 110.884 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.9 tpp85 -73.24 103.05 3.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.905 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.469 ' SG ' HD11 ' A' ' 78' ' ' LEU . 15.7 m -117.77 82.24 1.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 41.22 110.873 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 69.08 -139.83 33.21 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 73.54 112.44 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 0.78 5.12 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 75.25 112.374 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 24.0 mt -116.0 172.79 6.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 53.13 110.95 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.9 m -152.53 121.9 6.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 65.13 111.168 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.444 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 84.1 m-85 -101.53 177.03 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 64.22 110.879 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -152.81 123.92 7.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 72.31 110.924 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.687 ' CG ' HG21 ' A' ' 80' ' ' THR . 3.8 p90 -120.96 159.88 47.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.671 0.748 . . . . 64.12 110.935 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' ' 126' ' ' TYR . 53.6 Cg_endo -69.81 102.26 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 44.41 112.342 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 47.85 -132.81 17.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 71.24 112.482 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 78.2 p -145.78 128.83 16.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.388 . . . . 54.3 110.863 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 89.2 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 72.44 110.86 -179.826 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.039 0 CA-C-O 120.783 0.325 . . . . 71.33 110.863 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -105.56 169.99 8.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.899 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -120.75 98.64 6.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.21 110.84 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.504 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -115.94 161.55 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.34 111.094 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -79.86 173.94 12.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 65.11 110.893 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.506 HD11 ' HB3' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -120.06 -19.75 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 71.33 111.108 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.571 HG23 ' HB2' ' A' ' 39' ' ' ASP . 14.9 m -153.35 103.02 2.58 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 71.13 111.098 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.9 Cg_endo -69.74 147.89 64.01 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.717 2.278 . . . . 75.51 112.315 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -51.15 167.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.912 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.677 HD11 ' HB3' ' A' ' 31' ' ' MET . 13.1 pt -116.42 133.54 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 72.44 111.169 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.501 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -105.44 -172.85 2.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.14 111.095 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.678 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -57.29 -21.6 35.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 71.21 110.897 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -68.14 -29.69 68.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 71.45 110.912 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.685 ' O ' HG22 ' A' ' 17' ' ' THR . 11.9 mm-40 -104.42 -47.42 4.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 52.51 110.897 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -52.92 -33.16 49.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 74.12 110.854 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -21.48 52.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 72.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.685 HG22 ' O ' ' A' ' 14' ' ' GLU . 1.5 t -76.88 -6.58 53.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 71.41 111.175 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.608 HG21 ' HB3' ' A' ' 107' ' ' CYS . 2.3 mt -119.87 94.81 48.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.667 0.746 . . . . 55.31 111.178 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 165.27 31.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 73.43 112.348 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.1 mmmt -52.03 -24.4 6.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 75.42 110.915 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -61.25 -22.16 64.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 65.15 110.874 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -115.37 -32.16 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 64.45 110.925 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.647 ' O ' HD12 ' A' ' 26' ' ' LEU . 54.5 mt -61.19 -57.84 10.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 64.51 110.943 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.52 76.98 0.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 75.23 112.49 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 68.15 12.08 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.838 0.351 . . . . 61.23 110.859 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.647 HD12 ' O ' ' A' ' 23' ' ' LEU . 2.3 mt -91.64 172.24 8.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 55.44 110.904 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -156.59 163.45 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 51.25 111.121 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.678 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -54.38 -41.51 69.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.925 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.69 -38.31 84.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.883 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.435 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -62.24 -47.23 85.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 61.54 110.862 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.76 ' O ' HG23 ' A' ' 35' ' ' VAL . 13.2 mtm -75.62 -34.49 60.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 74.12 110.909 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -56.44 -42.69 78.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 64.54 110.924 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.614 ' OE1' HD22 ' A' ' 97' ' ' LEU . 8.3 pt-20 -80.32 -35.09 36.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 71.31 110.913 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.56 HG23 ' CE2' ' A' ' 101' ' ' PHE . 33.3 mt -64.54 -46.39 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 64.51 111.126 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.79 HG22 HD11 ' A' ' 108' ' ' LEU . 6.7 t -75.23 -28.46 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 64.32 111.135 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 t -73.06 -47.89 40.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 51.12 110.896 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.423 ' HB2' HD23 ' A' ' 93' ' ' LEU . 7.9 mptt -66.4 -55.39 16.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 74.15 110.895 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.453 ' SD ' HG21 ' A' ' 7' ' ' VAL . 4.4 ppp? -53.3 -38.62 63.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 63.24 110.861 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.571 ' HB2' HG23 ' A' ' 7' ' ' VAL . 38.4 t0 -69.12 -29.13 67.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 73.21 110.891 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -67.42 -51.94 45.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 63.35 110.828 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -63.22 -41.14 99.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 71.01 110.893 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.77 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -71.89 -31.55 66.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 64.13 110.911 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.401 ' N ' HD11 ' A' ' 6' ' ' ILE . 37.0 ttp -65.67 -40.8 92.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 70.35 110.905 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.63 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -73.42 -36.95 66.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 64.4 110.871 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 3.3 mtmt -59.51 -52.68 64.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.894 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.408 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 5.9 t -65.0 -32.99 74.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.843 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -30.16 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.2 110.942 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.672 HD13 HG21 ' A' ' 63' ' ' VAL . 0.9 OUTLIER -83.52 -32.21 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 74.32 111.186 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 5.5 mt -63.65 -16.94 62.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.883 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -108.87 -35.93 2.29 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.777 -0.725 . . . . 65.44 112.479 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.52 174.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 62.14 110.885 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 p -120.87 177.45 5.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 63.52 111.111 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -59.39 -20.83 57.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 61.53 110.87 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -72.14 -31.75 66.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 62.32 110.931 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.706 ' O ' HG23 ' A' ' 57' ' ' THR . 23.5 mp0 -99.78 -25.54 14.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.895 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 56' ' ' LEU . 3.0 tt -51.1 118.96 3.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 74.03 110.975 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 55' ' ' GLN . 41.8 p -124.74 -171.78 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 63.14 111.131 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -50.49 -42.98 55.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.908 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.589 ' O ' HG13 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -65.65 -28.64 69.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 45.32 110.87 -179.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.494 ' OD2' HG23 ' A' ' 48' ' ' ILE . 4.8 t0 -74.48 -34.94 63.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.117 -0.492 . . . . 73.31 110.812 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.444 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -77.75 -35.95 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 71.34 110.875 -179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -36.92 76.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.0 110.843 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.672 HG21 HD13 ' A' ' 48' ' ' ILE . 32.7 m -75.03 -41.77 45.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 63.52 111.13 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.648 HD13 HG21 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -61.85 -45.58 93.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 62.15 110.963 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.95 -41.81 90.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.884 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -66.68 -46.72 74.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 64.21 110.899 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.68 ' HA ' HD12 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -55.34 -48.45 74.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.943 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -23.88 67.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 62.41 110.923 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -32.55 65.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 73.54 110.923 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.729 HD22 HG23 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -78.03 -40.18 39.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 74.24 110.906 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.81 -28.43 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 70.31 110.866 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.1 ptp -87.14 -22.38 25.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 70.44 110.889 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -83.5 -16.49 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.885 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.782 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -75.75 0.62 17.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 63.52 111.069 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 48.76 34.64 5.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 71.11 110.834 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.81 177.13 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 55.24 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -110.67 95.04 5.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 75.35 110.905 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 124' ' ' PHE . 7.7 mp -51.12 161.54 0.71 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.656 0.741 . . . . 64.34 110.89 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -37.79 8.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 71.12 112.345 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.18 172.04 8.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 60.14 111.182 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 98.4 m -120.66 -20.38 7.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 74.03 111.099 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.548 ' HB3' HD11 ' A' ' 42' ' ' LEU . 11.9 mt -106.44 75.25 1.07 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 72.12 110.904 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -133.25 162.99 30.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.865 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.77 ' HD2' HD23 ' A' ' 42' ' ' LEU . 4.8 p90 -139.41 175.2 9.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 71.51 110.913 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.729 HG23 HD22 ' A' ' 70' ' ' LEU . 40.8 pt -106.51 146.45 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 73.14 111.144 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.71 -26.57 57.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 44.41 110.895 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.438 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -75.32 -7.12 53.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 74.32 111.133 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -97.24 -21.35 17.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 71.51 110.85 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.478 HG13 ' CE1' ' A' ' 84' ' ' PHE . 12.0 mm -109.14 -32.08 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 73.43 111.091 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.533 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 2.2 ttp85 -49.54 -58.31 9.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.54 0.686 . . . . 60.15 110.846 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.3 Cg_endo -69.72 4.82 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.692 2.261 . . . . 71.31 112.345 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.67 -32.46 8.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.42 110.881 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.461 HD21 ' HA ' ' A' ' 34' ' ' ILE . 83.1 mt -64.45 -113.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 53.1 110.882 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.508 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.7 tt0 -141.63 145.86 35.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 64.14 110.914 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -69.31 -39.48 78.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 71.21 110.866 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.8 13.47 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 74.52 110.891 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.614 HD22 ' OE1' ' A' ' 33' ' ' GLU . 12.2 tp -77.94 -23.31 48.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.925 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 64.41 164.09 0.12 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.567 0.699 . . . . 73.04 110.866 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 70.96 1.57 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.639 2.226 . . . . 74.41 112.359 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.416 ' HB3' HD21 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -98.57 -25.49 14.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 63.45 110.847 -179.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.56 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -51.38 -50.85 58.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.1 110.843 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.34 -22.03 11.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 62.53 111.06 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -99.43 -19.86 16.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 75.54 110.923 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.63 -17.77 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.32 111.112 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.642 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 17.2 mm -46.29 -52.12 30.32 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 61.14 111.106 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.3 Cg_endo -69.73 -32.7 18.18 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.632 2.221 . . . . 73.25 112.383 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.608 ' HB3' HG21 ' A' ' 18' ' ' ILE . 9.0 m -74.0 -17.59 60.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 54.13 110.875 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.79 HD11 HG22 ' A' ' 35' ' ' VAL . 3.3 mm? -92.51 -39.29 11.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 75.13 110.911 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.43 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 9.4 ptm180 -79.35 -31.22 42.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.913 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -56.72 -21.01 24.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 75.13 110.821 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.556 HG22 HG21 ' A' ' 17' ' ' THR . 15.2 pt -106.46 -7.7 10.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 75.23 111.123 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 71.57 56.98 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 74.3 110.862 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -116.26 -33.06 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 75.23 110.887 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.6 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.5 pp -149.48 -178.99 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.124 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.6 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.4 OUTLIER -146.08 174.29 11.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.846 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.29 131.29 23.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 63.14 110.871 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.43 104.61 12.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 53.12 110.906 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.74 101.55 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 70.13 110.852 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.556 ' SG ' HD11 ' A' ' 78' ' ' LEU . 17.5 m -117.35 82.17 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 62.44 110.903 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.418 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 69.67 -139.68 32.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 71.23 112.469 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.418 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 54.3 Cg_endo -69.73 0.72 5.21 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.248 . . . . 50.02 112.332 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.6 mt -114.01 175.81 5.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 72.01 110.913 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.4 m -157.54 115.78 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 65.34 111.168 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.782 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 64.4 m-85 -97.49 174.13 6.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 65.3 110.837 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -150.7 123.09 8.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 75.33 110.898 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.421 ' HB2' ' HD2' ' A' ' 127' ' ' PRO . 5.3 p90 -121.44 158.32 53.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.641 0.734 . . . . 73.23 110.979 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 126' ' ' TYR . 54.0 Cg_endo -69.76 105.93 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.657 2.238 . . . . 74.14 112.331 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 50.46 -137.76 24.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 74.32 112.523 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 35.1 t -146.51 96.49 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 73.03 110.876 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 11.6 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 71.34 110.883 -179.812 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.769 0.319 . . . . 71.3 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -122.24 139.03 54.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 74.44 110.9 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -120.87 116.99 26.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 72.32 110.845 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.534 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -118.2 158.35 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.41 111.158 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 ptp85 -64.3 174.15 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 75.04 110.826 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.712 HD13 ' HB3' ' A' ' 42' ' ' LEU . 2.4 mp -121.61 -30.83 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.35 111.126 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.572 HG23 ' HB2' ' A' ' 39' ' ' ASP . 3.6 m -154.26 101.14 2.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.615 0.722 . . . . 72.1 111.122 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.8 Cg_endo -69.78 177.97 5.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.638 2.226 . . . . 72.31 112.344 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -75.77 158.56 32.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 63.21 110.919 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.869 HD11 ' HB3' ' A' ' 31' ' ' MET . 13.3 pt -112.61 125.5 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 71.55 111.119 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.48 -169.07 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 72.02 111.15 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.855 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -64.19 -19.94 65.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 75.52 110.897 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -78.99 -29.4 43.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 74.53 110.862 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -96.21 -33.83 11.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 63.54 110.853 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.508 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 25.3 t80 -71.5 -32.62 68.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 72.21 110.875 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -69.73 -9.14 53.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 72.43 110.926 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 p -76.7 -7.3 55.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 51.2 111.114 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.434 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.5 mp -108.46 130.52 22.66 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.629 0.728 . . . . 74.41 111.16 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 149.21 66.55 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.252 . . . . 74.01 112.31 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.39 -21.67 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 70.34 110.895 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -65.62 -23.4 66.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 71.44 110.92 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -97.96 -40.7 8.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 75.21 110.92 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.508 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 19.2 mt -64.86 -54.8 25.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 61.14 110.93 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.24 -88.61 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 61.11 112.522 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -116.78 19.36 14.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.812 0.339 . . . . 73.43 110.846 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.42 160.1 14.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 64.4 110.934 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.22 165.71 26.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.12 111.125 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.855 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -51.16 -41.99 60.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 64.4 110.941 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -39.7 91.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 62.52 110.885 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.2 mtt -62.62 -44.03 97.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.873 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.869 ' HB3' HD11 ' A' ' 10' ' ' ILE . 4.6 mtt -75.4 -37.27 60.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 62.43 110.862 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -56.12 -41.85 75.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 65.43 110.902 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.636 ' OE1' HD22 ' A' ' 97' ' ' LEU . 9.6 pt-20 -79.4 -31.2 42.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.894 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.492 ' HA ' HD21 ' A' ' 93' ' ' LEU . 33.1 mt -68.15 -46.83 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 64.31 111.097 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 31' ' ' MET . 3.8 t -74.35 -28.49 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 73.05 111.14 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -72.44 -53.65 11.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 73.35 110.879 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -61.52 -51.94 66.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 74.35 110.903 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 8.4 ptm -53.71 -41.29 66.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 55.14 110.897 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.572 ' HB2' HG23 ' A' ' 7' ' ' VAL . 38.7 t0 -68.43 -28.88 67.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 51.33 110.882 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -66.59 -45.4 79.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 65.54 110.849 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.631 ' HD2' HD11 ' A' ' 89' ' ' ILE . 2.7 t80 -67.79 -43.63 79.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.873 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.712 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -71.77 -26.39 62.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 75.24 110.893 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.594 ' HA ' HD11 ' A' ' 6' ' ' ILE . 3.6 tpt -71.46 -42.05 68.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.857 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.428 ' O ' HD12 ' A' ' 48' ' ' ILE . 7.7 ptpp? -72.1 -37.74 69.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 65.53 110.91 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HD3' HD23 ' A' ' 82' ' ' LEU . 1.4 tttt -63.22 -53.51 51.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 62.43 110.899 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.6 t -61.47 -28.11 69.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 64.3 110.873 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -30.13 66.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 51.22 110.908 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.428 HD12 ' O ' ' A' ' 44' ' ' LYS . 6.5 mt -78.98 -33.07 15.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 62.04 111.119 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 49' ' ' LEU . 6.1 mt -63.34 -16.98 62.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 74.45 110.89 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.67 -28.35 4.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 71.12 112.485 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -174.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.843 0.354 . . . . 75.22 110.891 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -121.36 -171.93 2.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 65.35 111.138 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.82 -5.77 47.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 53.43 110.873 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -88.69 -39.56 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 72.3 110.908 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -84.28 -27.61 27.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 73.33 110.88 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -50.25 129.1 20.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 64.45 110.937 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.0 p -113.35 -174.0 2.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 53.22 111.161 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.5 ptt85 -59.49 -46.31 89.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.911 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.588 ' O ' HG13 ' A' ' 63' ' ' VAL . 43.1 t -62.97 -27.31 69.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 61.24 110.834 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -73.91 -31.92 63.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 53.53 110.869 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -43.95 43.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 75.04 110.847 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -64.14 -38.28 90.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 64.04 110.898 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 59' ' ' SER . 34.1 m -72.51 -38.62 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 54.22 111.126 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -44.14 97.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.45 110.919 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.64 -32.19 70.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.88 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -75.68 -39.51 57.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 74.42 110.917 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -39.86 93.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 73.54 110.951 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -24.87 55.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.85 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -43.03 66.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 70.24 110.917 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.904 HD22 HG23 ' A' ' 85' ' ' ILE . 1.5 pp -75.57 -33.9 60.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 52.01 110.913 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.01 -33.64 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.919 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.02 -17.52 31.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.848 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.409 ' HB3' HD11 ' A' ' 122' ' ' LEU . 0.9 OUTLIER -84.71 -16.19 42.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 71.42 110.903 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.707 ' HB2' ' HZ ' ' A' ' 124' ' ' PHE . . . -72.4 -0.36 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 62.22 111.135 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 48.32 36.44 6.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 73.3 110.856 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.52 170.51 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.911 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -108.87 92.47 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 63.04 110.858 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.516 HD21 ' CD1' ' A' ' 124' ' ' PHE . 5.6 mp -50.64 162.59 0.54 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.709 . . . . 75.42 110.936 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -42.98 2.87 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 62.44 112.306 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.776 HG21 ' CG ' ' A' ' 126' ' ' TYR . 5.0 t -96.48 164.65 12.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 75.03 111.137 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 81' ' ' THR . 19.0 m -121.39 -8.33 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 55.42 111.101 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.434 HD23 ' HD3' ' A' ' 45' ' ' LYS . 7.7 mt -107.59 76.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 73.04 110.916 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.543 ' HD2' HG23 ' A' ' 80' ' ' THR . 0.2 OUTLIER -135.34 -175.69 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 64.04 110.901 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.676 ' HD2' HD23 ' A' ' 42' ' ' LEU . 3.8 p90 -155.58 165.74 35.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 60.13 110.858 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.904 HG23 HD22 ' A' ' 70' ' ' LEU . 10.1 pt -98.44 151.11 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 73.21 111.101 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.77 -24.24 59.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 64.41 110.912 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.692 ' CG2' HD12 ' A' ' 85' ' ' ILE . 11.0 t -75.07 -8.57 56.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 70.33 111.14 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -105.18 -16.84 14.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 71.3 110.845 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.631 HD11 ' HD2' ' A' ' 41' ' ' PHE . 19.0 mm -106.28 -33.64 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 70.23 111.159 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.506 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 9.4 ttp180 -54.08 -59.02 11.01 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.737 . . . . 71.32 110.917 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.79 4.98 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 71.13 112.326 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -105.41 -24.31 12.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 65.14 110.883 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.492 HD21 ' HA ' ' A' ' 34' ' ' ILE . 83.3 mt -70.12 -108.65 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 60.33 110.918 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.427 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 1.6 mt-30 -135.22 136.18 41.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 61.54 110.884 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.68 -21.11 66.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 65.11 110.855 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -101.3 -4.36 27.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.02 110.907 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.636 HD22 ' OE1' ' A' ' 33' ' ' GLU . 18.5 tp -65.63 -23.39 66.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 63.5 110.918 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 64.08 163.62 0.12 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.557 0.694 . . . . 72.41 110.897 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 70.19 1.61 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.699 2.266 . . . . 65.22 112.338 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.9 p -98.4 -17.42 18.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 64.42 110.847 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -50.91 -51.16 54.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 72.45 110.908 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.12 -22.61 11.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.101 -0.499 . . . . 70.25 111.098 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -96.13 -22.05 17.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 71.23 110.902 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.31 -19.71 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 70.14 111.101 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.636 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 13.9 mm -46.84 -51.75 36.9 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.625 0.726 . . . . 45.23 111.106 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.77 -25.91 28.06 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 63.02 112.319 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.8 m -80.7 -19.68 44.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 75.2 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.641 HD11 HG22 ' A' ' 35' ' ' VAL . 3.3 mm? -92.14 -32.97 14.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 72.33 110.892 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.462 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 12.0 ptm180 -85.73 -27.78 25.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 74.14 110.877 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -56.03 -21.22 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 75.02 110.849 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.578 HD12 ' CD ' ' A' ' 113' ' ' ARG . 14.1 pt -99.78 -13.08 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 71.34 111.13 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.28 56.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 64.14 110.9 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.578 ' CD ' HD12 ' A' ' 111' ' ' ILE . 21.6 mtp85 -120.98 -33.14 3.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 72.34 110.865 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.584 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.6 pp -140.6 177.94 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 73.53 111.134 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.584 ' N ' HD12 ' A' ' 114' ' ' ILE . 29.0 mtp180 -144.55 175.62 10.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 60.33 110.84 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.593 ' OE1' HG23 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -148.09 129.41 14.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 64.02 110.895 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -113.13 107.08 15.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 51.21 110.883 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -80.5 102.34 9.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.34 110.917 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 4.8 m -125.25 94.56 4.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.898 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 59.62 -149.26 40.5 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.758 -0.734 . . . . 71.32 112.505 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 39.97 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.671 2.247 . . . . 63.14 112.362 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.421 ' H ' ' C ' ' A' ' 120' ' ' GLY . 43.8 mt -148.73 168.05 23.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 55.12 110.896 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.14 111.38 3.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 74.24 111.176 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.707 ' HZ ' ' HB2' ' A' ' 74' ' ' ALA . 23.2 m-85 -95.18 166.2 12.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 71.31 110.881 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -150.93 117.7 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 73.34 110.89 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.776 ' CG ' HG21 ' A' ' 80' ' ' THR . 1.4 p90 -123.27 157.04 62.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.66 0.743 . . . . 73.33 110.912 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.431 ' HB3' HG22 ' A' ' 6' ' ' ILE . 53.1 Cg_endo -69.77 88.93 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.639 2.226 . . . . 74.35 112.328 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 53.76 -176.86 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 74.11 112.487 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.94 106.8 18.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.906 0.384 . . . . 72.4 110.861 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 53.6 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 71.11 110.838 -179.808 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 tpt . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.77 0.319 . . . . 60.42 110.855 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -115.51 167.41 10.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 61.3 110.933 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -92.51 107.26 19.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.879 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.503 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -116.95 161.53 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.116 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.4 ptp85 -88.59 167.36 13.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 63.52 110.818 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.689 HD13 ' HB3' ' A' ' 42' ' ' LEU . 2.5 mp -105.38 -30.33 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 74.51 111.1 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 7' ' ' VAL . 21.7 m -149.39 116.64 3.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.731 . . . . 73.24 111.153 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -167.58 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.665 2.243 . . . . 71.01 112.349 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -92.98 162.9 13.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 72.42 110.916 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.815 HD11 ' HB3' ' A' ' 31' ' ' MET . 18.1 pt -112.39 133.12 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.104 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.494 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -105.41 -170.96 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 74.13 111.123 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.663 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.2 t70 -58.24 -21.69 49.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 75.25 110.893 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.96 -28.9 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 75.33 110.887 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.567 ' O ' HG22 ' A' ' 17' ' ' THR . 3.6 mm-40 -101.64 -45.78 5.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 72.53 110.868 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -55.28 -35.16 64.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 73.53 110.866 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -15.18 62.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.911 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -77.39 -7.73 56.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 61.44 111.174 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.34 124.52 35.52 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.584 0.707 . . . . 71.43 111.086 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 149.39 66.97 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.634 2.223 . . . . 73.32 112.343 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -54.98 -26.35 36.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 75.03 110.885 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -62.79 -20.04 64.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 74.31 110.903 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -105.32 -35.24 7.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 65.43 110.914 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.591 ' O ' HD12 ' A' ' 26' ' ' LEU . 79.5 mt -60.58 -59.6 5.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.914 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.82 72.05 0.72 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 33.15 112.504 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 mmt-85 67.31 11.43 8.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 73.04 110.891 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' ' 23' ' ' LEU . 4.2 mt -78.67 166.58 22.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 73.14 110.946 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.8 158.99 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.03 111.128 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.663 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -52.78 -41.4 64.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.906 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.42 -38.15 83.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 70.11 110.919 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.436 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -63.43 -48.67 76.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 73.05 110.897 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.815 ' HB3' HD11 ' A' ' 10' ' ' ILE . 79.9 mtp -74.47 -32.67 62.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 73.51 110.92 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 36' ' ' SER . 3.3 t30 -58.6 -45.64 88.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.895 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.557 ' OE1' HD22 ' A' ' 97' ' ' LEU . 8.5 pt-20 -78.22 -27.96 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 64.05 110.879 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.568 ' O ' ' HE3' ' A' ' 38' ' ' MET . 30.0 mt -71.65 -44.06 70.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 61.14 111.16 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.907 HG22 HD11 ' A' ' 108' ' ' LEU . 15.9 t -74.1 -35.26 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 63.32 111.156 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 32' ' ' ASN . 3.1 p -71.23 -36.66 71.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 75.35 110.884 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.89 -49.78 19.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.879 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.568 ' HE3' ' O ' ' A' ' 34' ' ' ILE . 12.7 ptp -55.2 -42.87 73.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 72.43 110.871 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.423 ' HB3' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -70.43 -30.64 67.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 62.35 110.887 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -64.02 -49.33 72.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 72.02 110.881 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.546 ' HD2' HD11 ' A' ' 89' ' ' ILE . 9.2 t80 -66.05 -42.94 88.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.892 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.697 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -70.19 -27.7 64.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 61.44 110.91 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.671 ' HA ' HD11 ' A' ' 6' ' ' ILE . 43.4 ttp -70.39 -42.96 71.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.89 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.598 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -70.78 -35.79 72.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 72.04 110.899 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HG2' ' CE2' ' A' ' 67' ' ' TRP . 1.4 tppp? -64.38 -52.61 57.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 73.32 110.915 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.5 t -62.56 -26.2 68.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 74.42 110.882 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.38 -29.89 62.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.892 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.598 HD12 ' O ' ' A' ' 44' ' ' LYS . 5.4 mt -80.03 -32.06 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 43.4 111.177 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.429 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.8 mt -61.48 -21.1 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 73.44 110.939 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -108.95 -28.64 4.37 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 54.45 112.495 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -61.99 -174.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.362 . . . . 54.44 110.9 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.545 HG21 ' HE3' ' A' ' 54' ' ' LYS . 13.0 t -123.59 168.0 13.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.136 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -56.54 -26.29 54.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 64.13 110.842 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.545 ' HE3' HG21 ' A' ' 52' ' ' THR . 32.1 mtmt -71.45 -38.11 71.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 54.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -84.57 -30.42 25.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.944 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.79 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -50.94 129.4 23.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.42 110.956 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.7 p -112.2 -173.76 2.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 61.14 111.138 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -58.49 -55.98 27.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 74.13 110.87 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.597 ' O ' HG13 ' A' ' 63' ' ' VAL . 20.4 m -53.87 -28.94 39.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 74.4 110.887 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -73.94 -31.34 62.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 74.3 110.858 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.79 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -75.92 -42.56 48.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 51.32 110.854 -179.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.89 -38.59 89.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 71.31 110.878 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 59' ' ' SER . 35.0 m -71.46 -40.41 72.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 74.02 111.164 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.425 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -60.64 -44.79 95.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 61.22 110.884 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.53 -38.46 89.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 74.2 110.896 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -73.16 -35.65 66.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.871 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.416 ' CE2' ' HG2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -62.57 -47.29 84.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 71.52 110.951 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -23.87 62.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 51.43 110.856 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -70.14 -45.23 67.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 72.01 110.89 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.956 HD22 HG23 ' A' ' 85' ' ' ILE . 2.4 pp -74.68 -29.97 61.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 64.32 110.885 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.506 ' N ' HD12 ' A' ' 70' ' ' LEU . 31.8 tt0 -68.58 -35.85 77.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.867 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.6 ptm -87.99 -15.1 37.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.874 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.54 -14.89 36.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 71.21 110.883 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.649 ' HB2' ' HZ ' ' A' ' 124' ' ' PHE . . . -72.25 -2.16 17.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 74.33 111.09 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.0 ttt-85 47.25 38.65 7.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 54.34 110.915 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.5 tttp 179.55 172.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 63.15 110.906 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.08 90.41 3.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 70.22 110.901 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.58 HD21 ' CD1' ' A' ' 124' ' ' PHE . 6.2 mp -51.57 160.99 0.9 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.619 0.723 . . . . 72.42 110.918 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -47.14 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.668 2.246 . . . . 65.25 112.361 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.452 HG21 ' CB ' ' A' ' 126' ' ' TYR . 1.5 m -88.14 157.82 18.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 71.3 111.167 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.4 m -115.38 -24.08 8.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 54.41 111.13 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.446 ' HB3' HD11 ' A' ' 42' ' ' LEU . 9.2 mt -95.63 76.18 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 72.02 110.924 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.47 -173.76 3.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.22 110.854 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.697 ' HD2' HD23 ' A' ' 42' ' ' LEU . 4.4 p90 -158.12 166.49 32.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 73.13 110.877 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.956 HG23 HD22 ' A' ' 70' ' ' LEU . 35.7 pt -101.62 142.38 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.44 111.169 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.31 -25.44 59.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 73.41 110.935 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -6.58 48.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 64.42 111.109 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -102.51 -16.83 16.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.875 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.546 HD11 ' HD2' ' A' ' 41' ' ' PHE . 13.1 mm -109.69 -38.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 71.12 111.131 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.525 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 3.5 ttp180 -49.07 -58.78 7.75 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.56 0.695 . . . . 74.02 110.843 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.8 4.27 2.3 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.624 2.216 . . . . 42.11 112.316 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.12 -31.87 8.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 73.5 110.882 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.443 HD13 HD23 ' A' ' 97' ' ' LEU . 81.0 mt -62.93 -111.08 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 63.42 110.926 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.435 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 1.4 mt-30 -138.73 131.55 29.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 75.35 110.921 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -60.28 -21.61 62.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 71.1 110.886 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -101.75 -2.69 29.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 70.53 110.841 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.557 HD22 ' OE1' ' A' ' 33' ' ' GLU . 18.0 tp -65.11 -19.48 66.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 43.14 110.904 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.472 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 8.8 mmt180 65.69 157.94 0.13 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.619 0.723 . . . . 72.11 110.836 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.472 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 54.1 Cg_endo -69.72 69.73 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.685 2.256 . . . . 54.41 112.36 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.2 m -97.94 -15.07 20.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 75.32 110.813 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.563 ' CZ ' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -51.04 -51.17 55.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 72.22 110.889 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.68 -21.73 19.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 74.11 111.108 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.89 -18.88 19.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 71.2 110.87 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.65 -17.64 24.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 50.43 111.093 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.622 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.6 mm -45.53 -52.9 21.14 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 64.52 111.138 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.8 Cg_endo -69.76 -30.7 21.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.693 2.262 . . . . 65.44 112.334 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.465 ' HB2' ' HE3' ' A' ' 31' ' ' MET . 7.7 m -73.91 -16.87 61.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 63.1 110.864 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.907 HD11 HG22 ' A' ' 35' ' ' VAL . 3.4 mm? -92.65 -36.34 13.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 75.11 110.957 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.418 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 7.5 ptm180 -86.24 -23.82 26.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 54.23 110.869 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -56.08 -24.03 37.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.04 110.894 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.464 HG22 HG21 ' A' ' 17' ' ' THR . 0.1 OUTLIER -103.83 -2.72 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.44 111.112 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 68.4 56.74 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.35 110.861 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -115.83 -31.07 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 73.13 110.915 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.531 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.7 pp -148.49 -179.83 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 62.11 111.129 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.531 ' N ' HD12 ' A' ' 114' ' ' ILE . 36.2 mtp180 -141.86 174.67 10.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 75.15 110.914 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.95 126.7 13.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 64.31 110.846 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -113.05 104.7 12.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 73.22 110.92 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.32 103.56 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 72.1 110.892 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 10.0 m -119.81 81.63 1.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 63.21 110.832 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.41 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 69.23 -140.83 34.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 64.02 112.494 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.41 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 53.6 Cg_endo -69.75 2.47 3.49 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 71.13 112.375 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -116.66 176.44 5.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.903 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.5 m -161.59 120.32 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 52.14 111.123 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.649 ' HZ ' ' HB2' ' A' ' 74' ' ' ALA . 14.5 m-85 -96.67 167.85 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 63.22 110.903 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -151.48 117.17 5.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 64.34 110.901 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.452 ' CB ' HG21 ' A' ' 80' ' ' THR . 0.3 OUTLIER -121.16 145.68 42.57 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.721 0.772 . . . . 74.51 110.888 -179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.682 ' HG3' HG21 ' A' ' 6' ' ' ILE . 53.4 Cg_endo -69.78 89.95 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.269 . . . . 71.14 112.318 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 47.09 85.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 73.43 112.47 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 74.0 m -149.91 113.59 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 62.3 110.878 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 74.33 110.887 -179.808 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mmt . . . . . 0 N--CA 1.458 -0.037 0 CA-C-O 120.819 0.342 . . . . 71.41 110.913 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -117.5 131.21 56.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 41.12 110.879 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -140.64 102.19 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 73.43 110.85 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.544 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -118.99 154.8 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.24 111.082 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.58 145.42 28.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 71.12 110.87 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.692 HD13 ' HB3' ' A' ' 42' ' ' LEU . 2.8 mp -94.43 -34.7 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 72.52 111.16 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 7' ' ' VAL . 10.7 m -152.47 100.55 2.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.613 0.72 . . . . 74.44 111.15 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.9 Cg_endo -69.75 169.51 18.73 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.23 . . . . 71.42 112.334 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -63.33 165.9 7.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 62.31 110.959 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.831 HD11 ' HB3' ' A' ' 31' ' ' MET . 13.1 pt -119.06 121.99 68.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 75.5 111.149 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.75 -171.36 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 73.1 111.117 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.796 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -60.84 -19.64 60.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.884 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -77.86 -28.81 50.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.03 110.871 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.614 ' O ' HG22 ' A' ' 17' ' ' THR . 26.8 mm-40 -98.24 -46.82 5.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 74.51 110.885 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.611 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 21.8 t80 -56.84 -28.89 62.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 71.23 110.878 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -71.59 -8.69 55.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.935 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.614 HG22 ' O ' ' A' ' 14' ' ' GLU . 1.8 t -76.79 -10.55 59.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 61.33 111.115 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.412 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.2 mp -105.51 130.27 23.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.613 0.721 . . . . 75.12 111.081 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.39 62.81 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.67 2.247 . . . . 64.54 112.373 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -56.33 -24.16 41.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.911 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -63.0 -23.66 67.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 72.22 110.912 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -97.72 -41.0 8.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 74.05 110.927 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.611 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 19.8 mt -64.33 -55.23 22.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 54.53 110.962 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.99 -93.08 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.75 . . . . 33.53 112.459 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -109.61 24.65 12.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 63.21 110.869 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.33 170.96 8.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.897 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -153.31 161.34 42.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 73.55 111.189 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.796 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -51.14 -42.45 60.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 61.33 110.926 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -41.22 92.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 75.45 110.936 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.8 mtt -62.78 -44.62 95.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 71.32 110.908 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.831 ' HB3' HD11 ' A' ' 10' ' ' ILE . 4.3 mtm -74.89 -33.12 62.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 71.2 110.901 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -59.46 -41.94 90.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 71.01 110.894 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.747 ' OE2' HD13 ' A' ' 97' ' ' LEU . 10.9 pt-20 -80.28 -29.7 38.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.913 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.532 HG23 ' CZ ' ' A' ' 101' ' ' PHE . 46.9 mt -71.43 -45.79 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 75.35 111.112 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 31' ' ' MET . 20.9 t -74.77 -29.33 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 61.01 111.157 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -73.31 -39.38 65.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.32 110.864 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.562 ' HG3' HD23 ' A' ' 93' ' ' LEU . 0.9 OUTLIER -72.47 -48.62 39.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 65.42 110.916 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.519 ' HE3' ' O ' ' A' ' 34' ' ' ILE . 12.5 ptp -56.66 -42.15 78.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 70.23 110.867 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 38' ' ' MET . 0.0 OUTLIER -68.92 -31.35 70.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.889 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -61.87 -56.38 19.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -47.59 85.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 71.15 110.886 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.771 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -63.93 -29.65 70.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 74.32 110.901 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.638 ' HA ' HD11 ' A' ' 6' ' ' ILE . 12.3 tpt -67.84 -37.94 82.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 63.52 110.859 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.507 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.0 OUTLIER -71.33 -36.51 71.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.892 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.413 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 56.8 tttp -64.66 -52.36 57.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 75.54 110.855 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.8 p -62.24 -27.52 69.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.843 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -28.84 62.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 74.22 110.919 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 44' ' ' LYS . 6.9 mt -80.43 -31.74 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 74.44 111.129 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.569 HD11 HD21 ' A' ' 82' ' ' LEU . 5.6 mt -62.86 -22.43 66.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 61.03 110.927 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -104.25 -36.72 3.05 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 73.14 112.455 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 169.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.918 0.39 . . . . 73.54 110.84 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.21 160.53 15.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 50.43 111.148 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -55.9 -25.21 41.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 72.51 110.855 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -75.79 -37.31 59.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 72.11 110.849 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -82.43 -30.18 30.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 62.31 110.957 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.773 HD21 ' HD2' ' A' ' 61' ' ' ARG . 0.7 OUTLIER -51.42 134.29 28.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 72.14 110.924 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.7 t -114.37 175.04 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 62.43 111.158 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -53.32 -49.37 67.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.924 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.588 ' O ' HG13 ' A' ' 63' ' ' VAL . 64.7 m -52.7 -33.51 48.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 74.43 110.898 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -73.74 -31.93 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 74.45 110.925 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.773 ' HD2' HD21 ' A' ' 56' ' ' LEU . 1.2 ttt180 -75.84 -41.55 52.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 53.42 110.898 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.43 -36.93 84.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.861 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 59' ' ' SER . 35.1 m -73.66 -38.48 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 62.21 111.139 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.513 HD12 ' CE3' ' A' ' 67' ' ' TRP . 0.6 OUTLIER -62.0 -47.56 84.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 70.43 110.898 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.74 -33.45 75.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 55.55 110.866 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -74.11 -40.32 62.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 72.42 110.857 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.513 ' CE3' HD12 ' A' ' 64' ' ' LEU . 18.9 m0 -62.06 -48.11 81.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 64.22 110.917 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.83 -23.91 59.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 70.35 110.854 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -69.51 -43.09 73.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 72.34 110.874 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.753 HD22 ' CG2' ' A' ' 85' ' ' ILE . 3.3 pp -76.36 -34.07 58.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 71.51 110.908 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.637 ' N ' HD12 ' A' ' 70' ' ' LEU . 6.7 pt-20 -74.28 -27.18 60.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 65.24 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.1 ptm -88.75 -23.34 22.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 63.32 110.863 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.546 ' HE2' HD11 ' A' ' 122' ' ' LEU . 0.7 OUTLIER -89.34 -12.18 41.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 64.12 110.873 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.67 -0.13 12.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 71.14 111.113 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 48.52 55.01 9.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 71.42 110.884 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.78 124.84 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 64.2 110.9 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -80.72 91.1 5.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 52.5 110.86 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.505 HD21 ' CD1' ' A' ' 124' ' ' PHE . 5.1 mp -65.09 150.73 95.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.616 0.722 . . . . 74.01 110.887 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -48.59 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 71.51 112.384 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.481 HG21 ' CB ' ' A' ' 126' ' ' TYR . 0.2 OUTLIER -76.46 154.84 34.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 63.25 111.138 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.1 m -118.92 -17.91 8.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 72.11 111.156 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.569 HD21 HD11 ' A' ' 49' ' ' LEU . 24.9 mt -100.79 77.29 1.86 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 45.15 110.893 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.93 -173.84 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.871 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.771 ' HD2' HD23 ' A' ' 42' ' ' LEU . 4.2 p90 -155.05 170.26 22.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.11 110.817 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.753 ' CG2' HD22 ' A' ' 70' ' ' LEU . 42.5 pt -104.39 147.7 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 75.22 111.083 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.15 -29.54 60.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 75.54 110.903 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -6.44 49.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 72.45 111.182 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -101.35 -6.03 24.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 73.33 110.825 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.477 HG13 ' CE1' ' A' ' 84' ' ' PHE . 11.1 mm -123.73 -40.98 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 73.23 111.145 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.508 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 7.9 ttp180 -48.3 -59.73 5.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 74.43 110.852 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.4 Cg_endo -69.76 12.36 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.679 2.253 . . . . 74.25 112.344 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.431 ' H ' ' C ' ' A' ' 90' ' ' ARG . 0.1 OUTLIER -118.7 -25.85 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 55.23 110.891 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.562 HD23 ' HG3' ' A' ' 37' ' ' LYS . 40.9 mt -65.21 -116.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.443 . . . . 54.42 110.91 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.439 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -134.31 141.66 47.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 75.15 110.872 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -68.91 -25.11 64.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 70.11 110.854 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -100.46 -3.73 30.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 73.41 110.83 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.747 HD13 ' OE2' ' A' ' 33' ' ' GLU . 14.8 tp -65.98 -19.31 65.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 64.43 110.917 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.417 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 23.3 mmm-85 63.51 155.62 0.12 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.709 . . . . 74.34 110.852 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.5 Cg_endo -69.75 70.9 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 72.41 112.302 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.0 p -96.95 -12.8 22.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 70.02 110.893 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.532 ' CZ ' HG23 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -51.62 -51.5 55.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 65.22 110.873 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.03 -21.57 12.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 61.23 111.09 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.02 -20.84 17.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 72.24 110.915 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.28 -19.95 29.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 31.31 111.067 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.649 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 12.8 mm -48.87 -51.08 57.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.59 0.709 . . . . 45.44 111.113 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.0 Cg_endo -69.72 -15.93 37.48 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.75 2.3 . . . . 75.42 112.329 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 13.1 m -94.99 -17.32 22.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 60.14 110.936 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.654 HD11 HG22 ' A' ' 35' ' ' VAL . 3.4 mm? -95.25 -22.32 17.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 63.33 110.929 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.459 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 13.0 ptp180 -87.55 -31.56 19.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 73.24 110.845 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -56.4 -21.16 23.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.85 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.585 ' CG2' HG21 ' A' ' 17' ' ' THR . 5.7 pt -101.1 -9.15 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 75.45 111.144 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 69.69 14.39 8.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 72.15 110.902 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.543 ' HB2' HD12 ' A' ' 111' ' ' ILE . 19.7 tpp180 -69.21 -31.58 70.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 71.21 110.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.528 HD12 ' N ' ' A' ' 115' ' ' ARG . 2.4 pp -150.27 -178.81 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 64.43 111.132 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.528 ' N ' HD12 ' A' ' 114' ' ' ILE . 3.9 mtp85 -144.33 175.22 10.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 75.41 110.877 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.492 ' CD ' HG23 ' A' ' 105' ' ' ILE . 1.2 pm0 -149.55 127.28 11.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.42 110.86 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -113.23 103.94 11.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 63.04 110.909 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.71 102.11 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 72.25 110.856 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 4.9 m -117.18 81.83 1.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 75.01 110.88 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 66.95 -140.17 37.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.76 . . . . 51.24 112.472 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 3.14 2.92 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.697 2.265 . . . . 75.02 112.368 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.546 HD11 ' HE2' ' A' ' 73' ' ' LYS . 8.6 mt -117.0 175.68 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.888 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.6 m -161.23 118.65 2.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 74.14 111.139 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.505 ' CD1' HD21 ' A' ' 78' ' ' LEU . 14.5 m-85 -96.4 168.51 10.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 72.24 110.841 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.411 ' CD2' ' HB3' ' A' ' 116' ' ' GLU . 43.5 m-85 -151.28 118.4 5.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 73.52 110.941 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.481 ' CB ' HG21 ' A' ' 80' ' ' THR . 0.5 OUTLIER -124.34 149.35 60.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.65 0.738 . . . . 73.42 110.925 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.647 ' HG3' HG21 ' A' ' 6' ' ' ILE . 54.4 Cg_endo -69.73 95.43 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 62.53 112.339 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 44.24 85.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 72.03 112.491 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.62 -61.11 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 74.22 110.85 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 71.32 110.826 -179.792 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.782 0.325 . . . . 72.11 110.893 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -93.82 114.91 27.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 54.33 110.909 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -60.07 118.66 6.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 64.23 110.828 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.53 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -119.76 156.4 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 75.5 111.107 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.43 163.3 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 71.52 110.856 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.477 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -118.77 -20.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.03 111.162 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.598 HG23 ' HB2' ' A' ' 39' ' ' ASP . 6.1 m -154.28 99.7 2.49 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.643 0.735 . . . . 45.23 111.101 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 164.17 35.6 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.24 . . . . 74.22 112.316 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -69.11 170.81 9.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 64.5 110.882 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.843 HD11 ' HB3' ' A' ' 31' ' ' MET . 10.1 pt -121.89 114.5 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 70.33 111.114 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.72 -169.19 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 53.54 111.122 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.891 ' HA ' HD11 ' A' ' 28' ' ' LEU . 25.6 t0 -61.6 -21.94 64.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 71.04 110.855 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -84.2 -26.03 29.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.893 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.609 ' O ' HG22 ' A' ' 17' ' ' THR . 26.2 mm-40 -95.79 -23.58 16.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 65.14 110.909 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.597 ' CZ ' HD13 ' A' ' 23' ' ' LEU . 16.1 t80 -89.01 -25.38 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 71.44 110.869 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -67.37 -9.51 42.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 61.13 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 14' ' ' GLU . 12.4 t -76.86 -19.73 57.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 65.04 111.173 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.554 ' O ' HD11 ' A' ' 23' ' ' LEU . 2.5 mp -103.92 113.66 65.2 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.592 0.71 . . . . 60.44 111.115 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 158.97 55.16 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.69 2.26 . . . . 70.42 112.349 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -20.8 29.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 65.42 110.896 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -61.8 -20.24 63.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.978 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -111.01 -36.28 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 74.25 110.938 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.597 HD13 ' CZ ' ' A' ' 15' ' ' PHE . 9.3 mt -71.11 -51.87 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.857 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.75 -92.82 0.11 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 74.11 112.474 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -106.89 24.04 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 75.44 110.839 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.432 HD11 ' N ' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -101.74 170.8 7.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 74.52 110.949 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.08 164.08 39.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 43.12 111.166 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.891 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -52.6 -43.26 65.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 71.35 110.945 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.84 -39.28 84.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 71.43 110.845 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.406 ' HA ' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -61.36 -47.52 85.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.878 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.843 ' HB3' HD11 ' A' ' 10' ' ' ILE . 4.9 mtm -75.2 -33.85 61.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 73.12 110.88 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -56.59 -42.04 78.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 73.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.594 ' OE1' HD22 ' A' ' 97' ' ' LEU . 7.1 pt-20 -81.22 -34.24 32.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.901 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.563 ' HA ' HD21 ' A' ' 93' ' ' LEU . 38.0 mt -64.01 -46.39 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 70.21 111.124 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.723 HG22 HD11 ' A' ' 108' ' ' LEU . 15.6 t -75.74 -33.43 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 75.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -67.75 -53.35 27.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 71.34 110.876 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -64.87 -50.75 65.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 55.25 110.921 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.513 ' HA ' HD12 ' A' ' 89' ' ' ILE . 28.5 ttt -52.87 -43.25 65.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 70.41 110.851 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.598 ' HB2' HG23 ' A' ' 7' ' ' VAL . 52.0 t0 -65.96 -29.54 69.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.425 . . . . 63.42 110.858 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.12 -52.78 53.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 73.13 110.842 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.424 ' HD2' HD13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -63.24 -43.42 98.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 73.34 110.876 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -68.3 -29.1 67.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 75.31 110.919 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.477 ' N ' HD11 ' A' ' 6' ' ' ILE . 56.5 ttp -69.7 -38.39 76.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 64.32 110.855 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.684 ' O ' HD12 ' A' ' 48' ' ' ILE . 9.1 ptmt -72.24 -38.24 68.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 72.34 110.874 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.443 ' HE3' HD23 ' A' ' 82' ' ' LEU . 19.9 tttp -63.26 -51.71 65.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 54.24 110.916 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.5 p -63.21 -27.79 69.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 64.21 110.846 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -30.03 65.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 72.53 110.921 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 44' ' ' LYS . 3.9 mt -80.19 -32.14 13.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 64.32 111.16 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.474 ' CD1' HD21 ' A' ' 82' ' ' LEU . 5.8 mt -61.38 -21.61 64.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 55.44 110.916 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -106.46 -33.96 3.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 53.0 112.482 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.9 -174.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 73.21 110.924 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.3 p -129.8 177.74 7.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 41.22 111.155 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.46 -15.08 62.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.52 110.881 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.3 -50.11 17.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.905 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.6 mp0 -84.78 -27.69 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 73.3 110.884 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.715 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.2 tt -56.79 127.92 34.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 74.23 110.918 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.4 -173.69 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 75.1 111.176 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -60.2 -54.3 47.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 63.04 110.919 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.685 ' O ' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -53.5 -30.59 42.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 52.44 110.883 -179.836 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.617 ' OD1' HD11 ' A' ' 48' ' ' ILE . 55.2 m-20 -75.86 -30.7 58.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 70.22 110.926 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.715 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -75.82 -34.6 60.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 64.33 110.856 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 59' ' ' SER . 15.8 pt-20 -75.47 -36.3 60.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.863 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.685 HG13 ' O ' ' A' ' 59' ' ' SER . 27.7 m -70.23 -41.55 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 65.51 111.136 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.834 HD12 ' N ' ' A' ' 65' ' ' ASP . 4.4 pp -71.3 -33.53 69.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.877 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.834 ' N ' HD12 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -69.82 -30.94 68.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.871 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -78.32 -44.86 24.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 72.52 110.863 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -41.26 85.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.927 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -74.11 -30.36 62.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 72.31 110.866 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -63.68 -41.58 98.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 72.13 110.893 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.14 -34.73 56.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 74.25 110.889 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -57.58 -45.67 84.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 72.04 110.87 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -36.34 34.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 72.51 110.879 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -18.47 42.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 52.21 110.881 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.5 1.17 14.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 73.3 111.117 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.6 tpp85 49.15 31.91 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.877 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.4 mttt 179.81 136.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 64.34 110.876 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 85.7 mtm-85 -75.35 101.54 4.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 74.25 110.878 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.504 HD11 ' SG ' ' A' ' 119' ' ' CYS . 2.0 mp -50.52 162.37 0.55 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.573 0.702 . . . . 55.05 110.928 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -7.22 20.52 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.712 2.275 . . . . 74.01 112.349 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.649 HG21 ' HB2' ' A' ' 126' ' ' TYR . 1.3 m -132.3 155.44 48.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 74.21 111.141 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.4 m -107.42 -23.7 12.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 74.21 111.139 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.474 HD21 ' CD1' ' A' ' 49' ' ' LEU . 15.5 mt -104.88 65.53 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 74.13 110.934 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -119.52 153.97 34.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.912 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -125.82 177.72 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 71.25 110.874 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.6 pt -117.13 148.05 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 72.35 111.13 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -62.49 -25.1 67.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -7.26 51.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 52.21 111.127 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -109.64 -2.02 17.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 70.54 110.871 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 38' ' ' MET . 16.8 mm -123.84 -40.9 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 70.02 111.161 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.593 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -53.55 -55.06 38.93 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.622 0.725 . . . . 73.55 110.841 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.9 Cg_endo -69.73 1.14 4.69 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.66 2.24 . . . . 51.12 112.338 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.98 -32.01 9.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 73.31 110.88 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.563 HD21 ' HA ' ' A' ' 34' ' ' ILE . 87.2 mt -62.15 -104.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 70.25 110.915 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.405 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 1.8 mt-30 -139.94 137.13 34.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.916 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -67.05 -20.75 65.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 65.34 110.875 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.25 -3.63 28.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.834 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.594 HD22 ' OE1' ' A' ' 33' ' ' GLU . 16.7 tp -65.06 -21.71 66.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 70.11 110.943 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? 65.14 164.18 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 73.22 110.907 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 71.67 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 64.35 112.37 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.3 p -97.74 -22.49 16.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 75.41 110.871 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -51.37 -49.54 61.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 73.32 110.887 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.33 -22.5 12.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 62.13 111.082 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.46 -20.96 18.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 64.13 110.889 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.432 ' N ' HD11 ' A' ' 26' ' ' LEU . . . -90.88 -13.44 33.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 63.43 111.049 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.633 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.5 mm -45.6 -52.69 22.51 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 73.41 111.117 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.2 Cg_endo -69.71 -28.83 25.01 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.649 2.233 . . . . 73.51 112.399 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 5.6 m -77.4 -17.76 57.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.86 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.723 HD11 HG22 ' A' ' 35' ' ' VAL . 2.1 mm? -88.56 -37.0 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.876 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -82.35 -30.28 30.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 71.03 110.911 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -56.92 -21.47 30.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 72.55 110.857 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.58 HG22 HG21 ' A' ' 17' ' ' THR . 13.1 pt -101.09 -9.79 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 74.44 111.093 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 72.03 57.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.1 110.902 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.526 ' CD ' HD12 ' A' ' 111' ' ' ILE . 71.5 mtt-85 -120.78 -38.33 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 55.52 110.882 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.505 HG22 HG11 ' A' ' 7' ' ' VAL . 1.3 pp -148.17 163.44 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 52.02 111.141 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.3 176.69 6.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 72.15 110.89 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.475 ' OE1' HG23 ' A' ' 105' ' ' ILE . 0.9 OUTLIER -140.22 125.57 18.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 75.31 110.907 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -112.57 108.74 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.906 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -75.87 101.63 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 72.3 110.868 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.504 ' SG ' HD11 ' A' ' 78' ' ' LEU . 30.9 m -115.06 82.13 1.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 75.52 110.893 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 68.9 -141.2 35.82 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 53.23 112.508 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 4.22 2.33 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.662 2.241 . . . . 75.21 112.332 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.6 mt -121.28 175.6 6.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 55.11 110.868 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -153.47 125.6 7.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 62.54 111.126 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.447 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 87.5 m-85 -105.54 168.92 8.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 53.11 110.89 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -150.34 130.54 13.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 74.34 110.93 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.649 ' HB2' HG21 ' A' ' 80' ' ' THR . 4.0 p90 -123.9 154.27 67.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.739 . . . . 65.1 110.953 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 81.6 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.252 . . . . 74.53 112.346 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 53.67 -179.23 0.15 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 54.32 112.531 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.5 m -95.61 -26.31 15.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 61.1 110.868 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 75.15 110.859 -179.804 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mtt . . . . . 0 CA--C 1.525 0.018 0 CA-C-O 120.81 0.338 . . . . 73.55 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -124.4 136.09 53.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 74.52 110.872 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -100.31 104.26 15.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 52.14 110.857 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.54 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -118.15 155.06 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 64.2 111.131 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.99 147.4 47.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 75.22 110.907 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.691 HD11 ' HA ' ' A' ' 43' ' ' MET . 1.5 mp -97.06 -32.96 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 61.33 111.131 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.621 HG23 ' HB2' ' A' ' 39' ' ' ASP . 13.5 m -152.56 100.6 2.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.731 . . . . 71.1 111.117 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.9 Cg_endo -69.72 163.05 39.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 72.33 112.349 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -54.14 168.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 75.54 110.91 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.88 HD11 ' HB3' ' A' ' 31' ' ' MET . 16.2 pt -120.86 127.41 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 63.24 111.15 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.04 -171.7 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 73.21 111.158 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.778 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -58.94 -20.68 54.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 71.24 110.838 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -74.37 -28.96 61.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 74.44 110.891 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.555 ' O ' HG22 ' A' ' 17' ' ' THR . 72.9 mm-40 -100.04 -46.32 5.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 63.35 110.893 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -55.39 -34.72 64.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 74.54 110.904 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -9.84 58.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 75.33 110.926 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -77.93 -2.32 36.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 72.14 111.193 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.468 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.2 mp -113.95 130.69 23.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.593 0.711 . . . . 74.43 111.175 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.27 64.88 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.707 2.271 . . . . 62.12 112.343 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.3 -23.32 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 72.02 110.884 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -63.5 -24.18 67.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 72.23 110.925 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -98.38 -37.55 9.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 71.34 110.905 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.468 HD21 ' HB ' ' A' ' 18' ' ' ILE . 14.5 mt -68.62 -48.97 62.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 61.15 110.923 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.82 -85.57 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 53.21 112.478 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -127.43 19.42 6.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 72.41 110.884 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 100' ' ' SER . 0.2 OUTLIER -86.27 174.79 8.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 63.32 110.921 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -152.14 162.69 40.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 75.33 111.123 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.778 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -51.34 -41.25 60.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 70.11 110.923 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.37 -43.79 96.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 73.32 110.877 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.4 mtt -60.69 -44.23 96.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 60.42 110.91 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.88 ' HB3' HD11 ' A' ' 10' ' ' ILE . 34.8 mtt -74.79 -34.36 62.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 71.42 110.853 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -57.01 -41.12 77.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.894 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.724 ' OE1' HD22 ' A' ' 97' ' ' LEU . 12.7 pt-20 -81.52 -33.16 31.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 52.14 110.865 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.588 HG23 ' CZ ' ' A' ' 101' ' ' PHE . 37.0 mt -66.24 -46.71 86.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 73.1 111.157 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 31' ' ' MET . 18.2 t -75.01 -32.38 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 73.35 111.136 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.2 t -68.65 -51.93 36.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 73.31 110.9 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.575 ' HG3' HG23 ' A' ' 89' ' ' ILE . 2.5 tppt? -63.29 -47.7 81.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 75.32 110.951 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.836 ' HA ' HD13 ' A' ' 89' ' ' ILE . 27.5 tpp -55.6 -45.95 77.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 60.12 110.888 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.621 ' HB2' HG23 ' A' ' 7' ' ' VAL . 38.6 t0 -66.75 -28.74 68.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 71.43 110.883 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -63.27 -56.09 19.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 63.52 110.882 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.446 ' CG ' ' CE2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -62.35 -43.22 99.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 74.55 110.88 -179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.635 ' HB3' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -67.35 -27.78 67.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 75.22 110.944 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.691 ' HA ' HD11 ' A' ' 6' ' ' ILE . 57.6 ttp -71.04 -37.87 72.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 75.32 110.916 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.541 ' O ' HD12 ' A' ' 48' ' ' ILE . 2.8 ptmm? -71.64 -38.98 70.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.908 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -64.16 -51.87 61.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 52.43 110.894 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.0 p -61.14 -29.0 69.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 61.12 110.84 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.68 -29.85 63.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 70.41 110.886 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 44' ' ' LYS . 5.9 mt -77.61 -32.2 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 72.14 111.12 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.614 HD11 HD21 ' A' ' 82' ' ' LEU . 5.6 mt -63.54 -20.95 66.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 64.14 110.922 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -104.23 -37.26 2.92 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.723 -0.751 . . . . 61.11 112.475 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -62.13 171.8 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 75.23 110.894 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.15 170.64 7.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 64.11 111.151 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -58.9 -24.06 61.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 74.53 110.858 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -69.24 -39.44 78.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 61.34 110.944 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -82.41 -32.1 29.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 72.3 110.928 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.72 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.0 OUTLIER -50.81 130.06 24.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 63.53 110.948 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.75 -175.29 2.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 70.03 111.121 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -54.29 -54.87 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 65.4 110.905 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.585 ' O ' HG13 ' A' ' 63' ' ' VAL . 3.9 m -53.83 -33.61 56.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 40.14 110.83 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -74.01 -31.79 63.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.852 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.72 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -76.12 -41.06 51.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 74.12 110.894 -179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.95 -37.5 84.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.25 110.867 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 59' ' ' SER . 34.1 m -72.87 -39.02 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 74.5 111.136 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.22 -45.3 93.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 71.15 110.918 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.11 -36.11 81.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 72.22 110.85 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -71.38 -49.38 42.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 72.45 110.862 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.473 ' HA ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -54.94 -41.61 71.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.921 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -25.27 61.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 70.24 110.82 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.92 -35.81 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 65.11 110.893 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 67' ' ' TRP . 2.2 mt -76.16 -37.63 57.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 72.41 110.956 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -69.9 -29.34 66.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 54.11 110.904 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.3 ptm -89.18 -16.81 30.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 73.25 110.853 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -96.57 -7.94 33.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.906 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.54 -0.19 14.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 74.51 111.147 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 49.53 27.56 2.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.876 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -179.44 121.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 75.24 110.893 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -62.06 97.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.897 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.596 HD11 ' SG ' ' A' ' 119' ' ' CYS . 4.1 mp -49.8 154.8 1.66 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.648 0.737 . . . . 72.22 110.885 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -7.7 21.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.253 . . . . 51.15 112.363 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.739 HG21 ' CD1' ' A' ' 126' ' ' TYR . 1.7 t -126.8 159.15 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.35 111.169 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.405 HG23 ' HH2' ' A' ' 67' ' ' TRP . 6.6 m -114.12 -23.49 9.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 73.21 111.162 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.614 HD21 HD11 ' A' ' 49' ' ' LEU . 11.6 mt -102.92 67.46 0.96 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 50.42 110.894 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.63 ' HD2' HG23 ' A' ' 80' ' ' THR . 8.8 p90 -122.46 154.75 37.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 74.14 110.861 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.464 ' O ' ' HA ' ' A' ' 124' ' ' PHE . 0.2 OUTLIER -128.38 175.61 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 63.43 110.888 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.485 HD12 ' OG1' ' A' ' 87' ' ' THR . 14.6 pt -113.53 152.32 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 75.44 111.165 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -76.02 -23.43 55.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 75.01 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.485 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -73.13 -5.4 38.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.22 111.118 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -112.9 -2.53 14.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 62.12 110.868 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.836 HD13 ' HA ' ' A' ' 38' ' ' MET . 43.9 mt -125.71 -39.9 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 70.55 111.149 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.588 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -49.7 -54.8 27.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.72 . . . . 70.45 110.867 179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.8 0.02 6.28 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.717 2.278 . . . . 71.54 112.337 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.76 -29.84 11.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.897 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.408 HD23 ' CB ' ' A' ' 37' ' ' LYS . 25.8 mt -57.55 -101.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 75.21 110.898 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.519 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.9 tt0 -142.92 144.8 32.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 64.13 110.871 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -67.64 -39.94 84.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.883 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.09 18.03 4.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 73.51 110.892 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.724 HD22 ' OE1' ' A' ' 33' ' ' GLU . 13.2 tp -79.15 -24.49 43.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.871 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 64.34 164.71 0.12 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.665 0.745 . . . . 73.21 110.821 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 67.36 1.72 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.651 2.234 . . . . 73.04 112.379 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.462 ' HB2' HD21 ' A' ' 26' ' ' LEU . 0.1 OUTLIER -99.21 -27.15 13.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 61.01 110.891 -179.847 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.588 ' CZ ' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -50.27 -54.07 23.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 45.33 110.866 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.31 -22.69 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 63.24 111.059 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -95.8 -18.95 20.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 54.04 110.883 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -90.03 -20.91 22.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 61.45 111.072 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.634 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.8 mm -46.6 -52.8 28.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.637 0.732 . . . . 74.24 111.162 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.71 -19.39 36.4 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.738 2.292 . . . . 42.34 112.329 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.401 ' O ' HG23 ' A' ' 111' ' ' ILE . 34.0 m -83.24 -33.88 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 51.45 110.919 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.514 HD23 ' N ' ' A' ' 108' ' ' LEU . 3.2 mt -70.73 -53.88 13.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 64.45 110.932 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -60.61 -31.0 70.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.82 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -59.05 -20.59 54.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.87 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.486 HG22 ' CG2' ' A' ' 17' ' ' THR . 0.2 OUTLIER -101.46 -3.47 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 55.51 111.133 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 68.26 49.52 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 72.12 110.88 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -109.76 -40.62 4.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 62.44 110.831 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.3 pp -148.47 -177.78 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 54.41 111.164 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.432 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.2 OUTLIER -137.32 171.12 14.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 63.35 110.883 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.96 130.18 29.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 64.41 110.932 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.22 105.67 14.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 72.32 110.908 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -75.3 103.32 5.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 65.44 110.831 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.596 ' SG ' HD11 ' A' ' 78' ' ' LEU . 35.0 m -117.8 81.96 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.9 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 70.6 -140.88 32.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 72.22 112.467 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 2.23 3.7 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.663 2.242 . . . . 53.35 112.334 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 34.6 mt -117.68 170.89 8.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 65.43 110.904 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.23 120.14 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 53.11 111.131 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.464 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 96.3 m-85 -100.57 172.61 7.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 71.23 110.868 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -152.65 127.91 9.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.495 . . . . 72.04 110.955 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.739 ' CD1' HG21 ' A' ' 80' ' ' THR . 7.3 p90 -126.06 155.83 72.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 73.54 110.949 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.669 ' O ' ' C ' ' A' ' 128' ' ' GLY . 53.9 Cg_endo -69.76 112.24 3.03 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.266 . . . . 74.35 112.32 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.669 ' C ' ' O ' ' A' ' 127' ' ' PRO . . . -5.96 97.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.758 -0.734 . . . . 43.21 112.513 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 51.9 p -50.57 162.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 40.44 110.894 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 72.2 110.823 -179.824 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.807 0.337 . . . . 62.43 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -147.5 135.11 20.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 74.22 110.91 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -54.85 145.52 19.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 73.45 110.869 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.539 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -119.3 156.22 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 51.21 111.085 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.33 145.51 43.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 62.3 110.915 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.765 HD13 ' HB3' ' A' ' 42' ' ' LEU . 3.0 mp -92.8 -36.63 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 65.54 111.148 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 7' ' ' VAL . 4.9 m -154.47 99.52 2.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 74.3 111.113 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.7 Cg_endo -69.84 173.92 10.34 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 75.1 112.343 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -51.59 156.24 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 53.15 110.938 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.801 HD11 ' HB3' ' A' ' 31' ' ' MET . 1.1 pt -119.21 112.02 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 65.21 111.133 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.48 -171.69 1.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 52.45 111.161 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.805 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -59.53 -23.26 62.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 74.15 110.866 179.891 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -53.02 -30.47 35.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.35 110.884 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.691 ' O ' HG22 ' A' ' 17' ' ' THR . 8.1 mm-40 -102.06 -42.25 6.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 72.21 110.883 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.511 ' CE2' HD13 ' A' ' 23' ' ' LEU . 18.4 t80 -61.97 -23.68 66.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 75.22 110.85 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -72.94 -28.06 62.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.868 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.691 HG22 ' O ' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -77.82 -3.39 41.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 71.35 111.124 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.448 ' O ' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -127.1 88.62 53.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.728 . . . . 74.3 111.133 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -175.76 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.715 2.277 . . . . 75.12 112.335 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -55.22 -23.5 22.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 72.3 110.888 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -68.72 -16.44 63.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 63.33 110.931 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -112.56 -41.12 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 74.5 110.9 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.511 HD13 ' CE2' ' A' ' 15' ' ' PHE . 5.0 mt -79.98 -48.28 13.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 73.24 110.904 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.48 -60.82 4.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 50.54 112.516 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -148.62 15.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.904 0.383 . . . . 74.45 110.915 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.456 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 0.2 OUTLIER -93.42 175.35 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 71.23 110.924 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.12 163.35 37.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 74.04 111.125 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.805 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -50.03 -42.37 49.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 73.21 110.9 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -41.47 93.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 53.42 110.889 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.434 ' HB2' HD23 ' A' ' 26' ' ' LEU . 17.4 mmt -63.27 -41.66 99.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 72.33 110.871 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.801 ' HB3' HD11 ' A' ' 10' ' ' ILE . 87.6 mtp -75.17 -37.55 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 63.43 110.915 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -57.04 -42.07 79.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 64.22 110.911 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.699 ' CD ' HD13 ' A' ' 97' ' ' LEU . 7.8 pt-20 -79.26 -27.54 42.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.886 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.551 HG22 ' CE ' ' A' ' 38' ' ' MET . 33.8 mt -73.97 -45.46 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 54.1 111.155 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.766 HG23 ' O ' ' A' ' 31' ' ' MET . 7.8 t -73.77 -28.28 24.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 74.01 111.087 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -73.94 -42.83 59.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 61.1 110.863 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -68.48 -49.14 61.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 72.35 110.905 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.551 ' CE ' HG22 ' A' ' 34' ' ' ILE . 19.3 ptp -58.58 -38.92 78.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 72.32 110.914 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -68.39 -29.78 68.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 70.43 110.903 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.37 -51.87 46.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.917 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.642 ' CD2' HD11 ' A' ' 89' ' ' ILE . 3.4 t80 -61.94 -46.05 91.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.846 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.768 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -65.82 -35.31 80.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.882 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.637 ' HA ' HD11 ' A' ' 6' ' ' ILE . 51.4 ttp -62.76 -39.45 94.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 71.41 110.862 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.542 ' O ' HD12 ' A' ' 48' ' ' ILE . 5.9 ptmt -70.37 -35.26 73.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 74.42 110.891 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -62.55 -53.96 46.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.87 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.2 t -62.67 -26.31 68.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 71.02 110.827 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -29.07 62.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.893 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 44' ' ' LYS . 5.9 mt -80.02 -32.64 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 62.41 111.126 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.445 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.9 mt -62.04 -19.54 63.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 75.13 110.905 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -110.4 -26.03 5.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 40.11 112.467 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -174.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 74.12 110.921 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.0 p -133.89 173.55 11.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 75.43 111.194 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -56.0 -24.78 41.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 53.14 110.91 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -66.31 -38.13 87.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 75.3 110.886 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.521 ' O ' HG23 ' A' ' 57' ' ' THR . 5.8 tp-100 -90.78 -33.99 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 61.52 110.914 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.68 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.1 tt -50.11 128.84 19.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 42.02 110.925 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 55' ' ' GLN . 26.7 p -124.96 -172.86 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.44 111.181 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -52.78 -53.31 50.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 75.31 110.828 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.601 ' O ' HG13 ' A' ' 63' ' ' VAL . 3.5 m -56.1 -29.62 60.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 71.22 110.898 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -74.59 -33.35 62.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 62.53 110.837 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.68 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -75.92 -36.55 59.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 60.22 110.887 -179.851 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.88 -36.59 72.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 71.34 110.856 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.601 HG13 ' O ' ' A' ' 59' ' ' SER . 29.6 m -73.79 -39.55 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 52.55 111.088 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.471 HD12 ' HE3' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -64.72 -44.95 88.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.909 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.49 -35.12 79.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 73.54 110.867 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -74.73 -43.15 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 75.45 110.851 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.491 ' HA ' HD21 ' A' ' 70' ' ' LEU . 7.5 m0 -58.44 -41.37 84.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.978 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.419 ' O ' ' HE3' ' A' ' 72' ' ' MET . 1.9 ptm180 -76.25 -24.35 54.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 71.44 110.884 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -42.01 60.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.896 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.842 HD22 HG23 ' A' ' 85' ' ' ILE . 1.6 pp -73.76 -41.3 62.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 64.34 110.889 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.515 ' N ' HD12 ' A' ' 70' ' ' LEU . 15.5 pt-20 -65.58 -31.51 72.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 71.13 110.896 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.419 ' HE3' ' O ' ' A' ' 68' ' ' ARG . 6.7 ptp -88.73 -22.59 23.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.892 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.47 ' HB3' HD11 ' A' ' 122' ' ' LEU . 0.6 OUTLIER -75.51 -22.52 57.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 65.1 110.919 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -74.12 -0.35 16.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 52.14 111.123 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 43.24 37.01 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 71.42 110.845 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -158.42 132.2 7.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.84 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.2 91.97 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 72.14 110.859 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.543 HD21 ' CD1' ' A' ' 124' ' ' PHE . 5.1 mp -59.37 160.37 13.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.62 0.724 . . . . 73.44 110.91 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.38 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 63.42 112.382 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.58 159.73 16.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 70.21 111.112 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 81' ' ' THR . 18.1 m -118.82 -8.56 10.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 64.31 111.133 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 mt -103.59 74.49 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.936 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -133.89 -175.4 3.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 75.35 110.901 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.768 ' HD2' HD23 ' A' ' 42' ' ' LEU . 2.2 p90 -152.25 171.83 17.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.879 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.842 HG23 HD22 ' A' ' 70' ' ' LEU . 45.7 pt -108.07 143.42 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 75.43 111.095 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.97 -25.55 58.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 71.23 110.923 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.39 -8.29 55.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 75.21 111.137 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -112.44 -2.83 14.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 73.33 110.883 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.642 HD11 ' CD2' ' A' ' 41' ' ' PHE . 40.8 mm -123.2 -8.0 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 74.41 111.142 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.526 ' H ' ' HD2' ' A' ' 91' ' ' PRO . 17.1 ttt-85 -86.52 -60.81 0.26 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.605 0.717 . . . . 74.42 110.873 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.526 ' HD2' ' H ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.81 22.64 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.648 2.232 . . . . 72.41 112.331 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . 0.49 ' H ' ' C ' ' A' ' 90' ' ' ARG . 12.1 ptm -122.68 -26.56 4.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 72.55 110.872 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.424 ' CB ' HD23 ' A' ' 97' ' ' LEU . 1.8 mt -67.0 -129.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 70.15 110.914 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.479 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 23.7 mp0 -114.39 157.21 23.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 70.33 110.917 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -77.74 -20.81 52.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.846 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.89 -8.67 23.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 71.03 110.872 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.699 HD13 ' CD ' ' A' ' 33' ' ' GLU . 22.6 tp -65.49 -31.06 71.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 73.54 110.887 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mtt85 61.7 162.5 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 64.23 110.852 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 70.76 1.56 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.703 2.269 . . . . 75.43 112.322 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 m -94.31 -15.99 23.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 73.01 110.826 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.19 -53.52 34.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 63.35 110.892 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.05 -23.78 8.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 42.22 111.081 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -94.19 -22.95 18.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 74.23 110.928 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.456 ' HB2' ' CD2' ' A' ' 26' ' ' LEU . . . -91.77 -9.14 44.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 70.34 111.105 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.649 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 9.0 mm -49.14 -50.93 60.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.634 0.731 . . . . 75.05 111.129 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.6 Cg_endo -69.73 -33.27 17.03 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.728 2.286 . . . . 65.31 112.332 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -79.0 -8.47 58.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 51.02 110.861 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.467 HD11 HG22 ' A' ' 35' ' ' VAL . 1.6 mm? -101.2 -27.95 12.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 74.21 110.914 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 19.8 ptt180 -91.36 -32.12 15.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 64.14 110.876 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -56.87 -21.27 28.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.854 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.664 HG22 HG21 ' A' ' 17' ' ' THR . 20.7 pt -96.61 -11.4 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 52.24 111.131 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.4 53.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 75.44 110.901 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -117.52 -28.91 5.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.875 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.563 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.6 pp -147.67 179.01 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 73.01 111.177 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.563 ' N ' HD12 ' A' ' 114' ' ' ILE . 31.4 mtp85 -141.36 169.77 16.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 73.51 110.913 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.71 129.21 16.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 75.53 110.93 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -114.86 106.62 14.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 71.23 110.888 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.88 101.9 10.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.876 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 4.2 m -125.69 97.15 5.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 75.14 110.936 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 57.33 -149.64 31.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 74.3 112.486 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 41.58 0.32 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.707 2.271 . . . . 73.15 112.33 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.47 HD11 ' HB3' ' A' ' 73' ' ' LYS . 62.2 mt -150.29 167.53 26.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 71.2 110.887 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.76 111.56 4.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 70.05 111.14 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.543 ' CD1' HD21 ' A' ' 78' ' ' LEU . 26.1 m-85 -95.71 162.89 13.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 73.31 110.92 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -150.55 118.27 6.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 73.22 110.871 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.05 157.98 59.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.688 0.756 . . . . 72.13 110.902 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 97.7 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 73.01 112.351 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 51.1 -149.99 6.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 73.05 112.545 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.3 t -124.9 -41.31 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.371 . . . . 74.23 110.867 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.2 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 73.14 110.811 -179.801 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.1 mtt . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.804 0.335 . . . . 51.41 110.947 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -76.95 -30.02 55.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 73.23 110.883 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -79.76 98.7 7.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 64.13 110.854 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.515 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -118.76 159.3 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.03 111.158 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptp85 -71.06 177.47 3.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 55.34 110.858 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.505 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -121.35 -17.12 5.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 71.22 111.163 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.584 HG23 ' HB3' ' A' ' 39' ' ' ASP . 16.6 m -153.53 106.14 2.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.678 0.751 . . . . 71.52 111.144 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 179.6 3.58 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.625 2.217 . . . . 61.45 112.381 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.86 164.36 26.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 71.44 110.878 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.829 HD11 ' HB3' ' A' ' 31' ' ' MET . 13.0 pt -118.24 126.76 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 73.32 111.151 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.475 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -98.61 -170.82 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.23 111.127 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.683 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -57.39 -21.64 37.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.858 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -70.36 -29.37 66.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 74.04 110.933 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.416 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 14.6 mm-40 -101.88 -46.0 5.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 74.2 110.888 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.45 ' HA ' HD12 ' A' ' 18' ' ' ILE . 18.1 t80 -55.42 -34.27 64.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 74.42 110.845 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -21.66 49.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.864 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 p -76.72 -10.3 59.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 72.53 111.15 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.593 ' O ' HD11 ' A' ' 23' ' ' LEU . 2.5 mt -113.7 100.02 51.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 73.22 111.128 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 167.14 25.32 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.708 2.272 . . . . 72.01 112.371 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -56.53 -20.27 19.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 74.33 110.87 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -61.6 -17.51 55.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 70.21 110.925 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -117.25 -36.89 3.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.12 110.903 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.593 HD11 ' O ' ' A' ' 18' ' ' ILE . 9.3 mt -68.73 -49.35 59.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 63.23 110.887 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.25 -80.38 0.62 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.752 -0.737 . . . . 43.04 112.499 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.9 mtm-85 -128.56 11.19 6.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 74.23 110.891 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.473 ' O ' HG23 ' A' ' 27' ' ' THR . 0.4 OUTLIER -89.77 -179.54 5.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.952 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 26' ' ' LEU . 1.8 p -157.61 167.61 29.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 74.42 111.128 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.683 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -50.14 -42.14 50.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 72.2 110.93 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.72 -42.68 97.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 71.31 110.859 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 10.6 mtt -63.49 -39.93 95.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 63.33 110.883 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.829 ' HB3' HD11 ' A' ' 10' ' ' ILE . 65.9 mtp -74.2 -39.11 63.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.901 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.44 -43.9 84.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 61.53 110.907 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.625 ' CD ' HD22 ' A' ' 97' ' ' LEU . 16.5 pt-20 -75.24 -27.38 59.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.881 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.037 HD11 HD11 ' A' ' 97' ' ' LEU . 33.5 mt -72.88 -50.47 32.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 75.14 111.091 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.776 HG22 HD11 ' A' ' 108' ' ' LEU . 4.8 t -67.5 -27.84 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.23 111.13 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.07 -45.56 56.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.808 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -44.77 69.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 71.1 110.899 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.561 ' HE2' ' HA ' ' A' ' 35' ' ' VAL . 39.0 mtm -58.14 -52.61 64.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 74.03 110.861 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.584 ' HB3' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -62.16 -32.4 73.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 64.33 110.863 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.95 -52.02 67.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 63.44 110.886 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.73 -49.84 71.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.451 . . . . 63.41 110.883 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.74 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -62.52 -32.05 72.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 64.41 110.89 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.467 ' N ' HD11 ' A' ' 6' ' ' ILE . 45.6 ttp -66.89 -37.63 84.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 75.23 110.884 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.446 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.7 OUTLIER -69.7 -36.12 75.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.89 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 1.1 ttmp? -65.07 -54.19 33.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 73.42 110.845 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.7 p -60.5 -27.35 67.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 74.14 110.825 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -29.04 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.894 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' ' 44' ' ' LYS . 8.2 mt -80.24 -31.54 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 63.43 111.125 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.45 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.7 mt -63.21 -22.53 66.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 71.14 110.954 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -102.07 -37.47 3.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 14.4 112.479 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.67 165.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 72.41 110.923 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.4 168.98 9.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 61.11 111.133 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -65.56 -20.53 66.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 74.4 110.897 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -75.01 -41.47 59.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 73.03 110.906 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -85.53 -32.2 22.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 75.14 110.901 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.711 HD21 ' HD2' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -53.86 139.98 31.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 53.33 110.925 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.4 p -115.62 -174.05 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 72.24 111.149 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -64.95 -37.51 87.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 72.25 110.894 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.498 ' O ' HG13 ' A' ' 63' ' ' VAL . 5.3 m -57.57 -36.81 72.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.888 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -72.26 -32.28 66.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 74.24 110.843 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.711 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -77.6 -38.92 47.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 73.23 110.886 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -67.11 -37.6 84.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.846 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 59' ' ' SER . 31.3 m -73.87 -40.65 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 72.13 111.175 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.418 ' N ' HG23 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -60.17 -43.57 95.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 73.32 110.913 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.12 -35.42 74.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.899 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -72.74 -40.92 65.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.898 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.409 ' HA ' HD21 ' A' ' 70' ' ' LEU . 19.8 m0 -65.26 -36.44 84.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 75.3 110.904 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.41 -25.84 57.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 72.21 110.856 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -40.55 62.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.86 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.685 HD22 ' CG2' ' A' ' 85' ' ' ILE . 3.5 pp -75.28 -31.94 60.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 72.15 110.899 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.616 ' N ' HD12 ' A' ' 70' ' ' LEU . 4.4 pt-20 -72.27 -32.88 67.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 75.33 110.861 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.9 ptp -89.25 -13.07 38.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.852 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -91.26 -19.0 23.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 62.02 110.905 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.456 ' HA ' HD12 ' A' ' 122' ' ' LEU . . . -73.49 -2.73 23.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 53.11 111.088 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 45.87 56.66 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 74.13 110.902 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -159.83 150.19 18.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 72.53 110.927 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -93.76 97.27 10.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 73.52 110.849 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.553 HD21 ' CD1' ' A' ' 124' ' ' PHE . 10.7 mp -95.83 107.77 36.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 73.31 110.945 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 78' ' ' LEU . 54.2 Cg_endo -69.74 57.73 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.722 2.281 . . . . 73.23 112.374 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.95 155.41 13.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 41.34 111.135 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 81' ' ' THR . 3.6 m -134.44 29.06 3.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 73.5 111.09 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.618 ' O ' HD11 ' A' ' 42' ' ' LEU . 13.0 mt -139.2 57.77 1.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 74.05 110.916 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -133.01 175.03 9.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 71.21 110.862 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.74 ' HD2' HD23 ' A' ' 42' ' ' LEU . 4.4 p90 -144.47 167.93 21.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 75.54 110.872 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.685 ' CG2' HD22 ' A' ' 70' ' ' LEU . 46.1 pt -104.84 144.38 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 64.15 111.147 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.78 -25.5 55.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.876 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.436 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -75.58 -7.47 54.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.51 111.161 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.49 -30.43 12.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.833 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.501 HG13 ' CE1' ' A' ' 84' ' ' PHE . 12.4 mm -99.09 -26.19 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 74.32 111.182 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.521 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 1.1 ttp180 -49.21 -58.16 9.6 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.572 0.701 . . . . 72.23 110.871 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.1 Cg_endo -69.76 4.33 2.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.653 2.235 . . . . 72.51 112.339 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.2 -36.13 6.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 70.34 110.853 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.704 ' HB3' HD23 ' A' ' 97' ' ' LEU . 97.5 mt -66.93 -115.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 74.23 110.912 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -142.86 149.57 38.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 63.34 110.925 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.21 -54.89 29.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.889 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -72.3 -8.25 53.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 55.44 110.802 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.037 HD11 HD11 ' A' ' 34' ' ' ILE . 15.1 tp -94.65 -15.75 23.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.435 . . . . 72.44 110.918 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.509 ' N ' ' HD2' ' A' ' 99' ' ' PRO . 8.3 mtp180 -51.02 -58.91 8.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 64.3 110.868 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 98' ' ' ARG . 53.2 Cg_endo -69.81 -5.22 15.71 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.648 2.232 . . . . 75.25 112.301 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.748 ' HB2' HD12 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -89.02 -17.16 29.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 65.53 110.829 -179.819 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.75 -54.92 27.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.883 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.54 -23.79 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 70.13 111.094 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -94.14 -22.33 18.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.04 110.911 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.21 -21.44 29.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 71.33 111.115 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.632 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 11.1 mm -47.94 -51.87 44.25 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.652 0.739 . . . . 41.33 111.14 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.73 -29.74 23.55 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.713 2.275 . . . . 63.12 112.347 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.467 ' HB2' ' HE3' ' A' ' 31' ' ' MET . 20.9 m -76.73 -15.25 59.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 33.42 110.884 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.776 HD11 HG22 ' A' ' 35' ' ' VAL . 2.8 mm? -93.78 -37.78 11.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 75.42 110.909 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 32.4 ptt85 -82.32 -28.59 31.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.32 110.873 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -56.41 -21.56 25.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 70.31 110.873 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 11.5 pt -103.56 -7.18 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 74.12 111.111 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 69.76 55.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 72.03 110.823 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -117.2 -29.6 5.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 72.11 110.861 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.549 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.6 pp -148.79 -179.19 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 73.31 111.078 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.549 ' N ' HD12 ' A' ' 114' ' ' ILE . 3.9 mtt180 -140.67 173.38 11.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 74.55 110.835 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.487 ' OE1' HG23 ' A' ' 105' ' ' ILE . 1.2 pm0 -149.12 126.73 11.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.866 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -112.67 103.96 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 73.32 110.901 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.86 101.79 3.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 75.34 110.903 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 11.4 m -119.26 81.67 1.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.877 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.403 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 68.72 -141.48 36.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.695 -0.764 . . . . 63.42 112.49 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.403 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 54.4 Cg_endo -69.66 2.97 3.0 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 72.03 112.39 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 74' ' ' ALA . 62.5 mt -115.84 170.3 8.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 73.15 110.897 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 3.2 m -156.6 116.26 3.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 72.34 111.124 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.553 ' CD1' HD21 ' A' ' 78' ' ' LEU . 21.8 m-85 -95.43 168.42 10.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 75.43 110.917 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.413 ' CD1' ' HB3' ' A' ' 116' ' ' GLU . 35.2 m-85 -152.48 118.13 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.937 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -120.3 149.56 49.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.703 0.763 . . . . 73.32 110.902 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 91.27 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 62.53 112.323 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 45.86 83.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 71.53 112.49 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.98 -66.14 0.44 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.863 0.363 . . . . 62.44 110.858 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 70.1 110.872 -179.828 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.78 0.324 . . . . 72.32 110.849 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -103.29 146.89 27.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 73.42 110.899 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.84 111.16 21.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 74.01 110.88 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.531 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -118.87 155.56 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 72.41 111.143 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.59 159.53 1.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 75.45 110.868 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.517 HD11 ' N ' ' A' ' 43' ' ' MET . 0.0 OUTLIER -113.79 -25.15 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 74.05 111.145 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.731 HG23 ' HB2' ' A' ' 39' ' ' ASP . 12.3 m -153.54 99.03 2.65 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 60.51 111.149 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 54.0 Cg_endo -69.71 171.24 14.76 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.646 2.23 . . . . 75.32 112.4 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -67.01 163.53 19.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 62.33 110.934 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.756 HD11 ' HB3' ' A' ' 31' ' ' MET . 1.0 OUTLIER -122.87 115.12 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 73.53 111.106 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.536 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -82.18 -172.33 3.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 60.14 111.192 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.738 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -55.95 -26.69 49.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.874 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -60.74 -29.14 69.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 75.34 110.852 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.477 ' O ' HG22 ' A' ' 17' ' ' THR . 76.9 mm-40 -108.11 -39.54 5.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 70.15 110.883 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -55.37 -37.35 67.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.873 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.29 -0.7 57.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.905 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -78.87 -3.82 46.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 72.14 111.129 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.496 HG13 HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -115.91 150.16 44.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.614 0.721 . . . . 50.43 111.131 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.87 67.46 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.717 2.278 . . . . 74.33 112.341 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HA ' HD12 ' A' ' 23' ' ' LEU . 1.2 ttmt -64.64 -22.65 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.25 110.92 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -62.56 -16.52 56.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 63.35 110.934 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -106.94 -31.0 8.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 75.41 110.929 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.526 ' HA ' HD12 ' A' ' 26' ' ' LEU . 64.5 mt -61.19 -57.73 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.51 69.29 1.32 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.686 -0.769 . . . . 72.41 112.516 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 67.17 12.63 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.363 . . . . 70.44 110.898 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 23' ' ' LEU . 3.4 mt -71.94 156.92 38.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 73.02 110.909 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.06 153.04 48.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 74.21 111.143 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.738 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -49.91 -40.58 43.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 71.13 110.895 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.41 -37.84 82.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 74.14 110.867 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 50.9 mtt -66.91 -45.58 77.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 63.1 110.893 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.756 ' HB3' HD11 ' A' ' 10' ' ' ILE . 89.8 mtp -75.33 -29.6 60.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 73.11 110.846 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -64.61 -41.62 96.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.1 110.933 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.565 ' OE1' HD22 ' A' ' 97' ' ' LEU . 10.0 pt-20 -79.81 -29.28 40.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 65.21 110.916 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.7 mt -70.45 -48.19 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 72.52 111.167 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.749 HG22 HD11 ' A' ' 108' ' ' LEU . 18.3 t -73.01 -31.24 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 74.51 111.17 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -69.27 -50.75 43.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 62.32 110.88 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -62.44 -52.98 61.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 74.1 110.854 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.453 ' HG3' HG21 ' A' ' 89' ' ' ILE . 19.3 mtp -51.58 -45.95 63.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 61.12 110.882 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.731 ' HB2' HG23 ' A' ' 7' ' ' VAL . 55.4 t0 -62.62 -32.1 73.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 55.42 110.904 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.69 -46.91 83.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 64.43 110.872 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.475 ' HD2' HD11 ' A' ' 89' ' ' ILE . 2.3 t80 -64.13 -53.26 52.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 72.12 110.878 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.711 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -62.48 -34.19 76.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 62.54 110.915 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.517 ' N ' HD11 ' A' ' 6' ' ' ILE . 11.1 tpt -62.51 -39.49 93.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 73.12 110.89 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.709 ' O ' HD12 ' A' ' 48' ' ' ILE . 6.6 ptmt -69.55 -35.1 75.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 71.43 110.888 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 29.6 tptt -62.36 -54.7 36.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 71.04 110.873 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -63.26 -24.38 67.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 53.14 110.862 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -29.4 63.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 62.41 110.88 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.709 HD12 ' O ' ' A' ' 44' ' ' LYS . 0.9 OUTLIER -82.51 -32.31 10.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 74.33 111.096 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.464 ' N ' HD23 ' A' ' 49' ' ' LEU . 5.3 mt -63.41 -18.5 63.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 24.11 110.907 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -109.75 -34.0 2.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 50.45 112.447 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -51.98 171.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.355 . . . . 70.24 110.904 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 p -122.95 -175.34 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 55.04 111.141 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -69.5 -10.99 60.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 74.24 110.893 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.3 mttm -80.33 -44.79 18.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.914 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.542 ' O ' HG23 ' A' ' 57' ' ' THR . 24.1 mm-40 -92.13 -24.51 19.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 74.14 110.876 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' C ' HD23 ' A' ' 56' ' ' LEU . 5.7 tt -54.02 122.6 10.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 71.45 110.907 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 55' ' ' GLN . 81.6 p -128.13 -174.18 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 72.13 111.177 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -51.78 -45.93 63.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.427 . . . . 73.13 110.903 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.601 ' O ' HG13 ' A' ' 63' ' ' VAL . 3.5 m -51.42 -33.7 31.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.868 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -75.51 -34.33 60.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 72.32 110.882 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.04 -38.94 66.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.866 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.8 pt-20 -69.16 -40.91 77.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.4 110.85 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.672 HG11 ' HE2' ' A' ' 44' ' ' LYS . 35.1 m -70.41 -38.05 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 64.42 111.093 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.473 ' HA ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -63.53 -43.89 95.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.944 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -45.29 83.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 62.12 110.84 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -65.11 -45.33 85.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 65.43 110.908 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.714 ' HA ' HD12 ' A' ' 70' ' ' LEU . 3.5 m95 -55.16 -50.09 70.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 64.55 110.923 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -64.03 -22.51 66.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 72.43 110.877 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -34.49 63.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.912 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.732 HD22 HG23 ' A' ' 85' ' ' ILE . 0.5 OUTLIER -75.99 -45.26 35.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 74.42 110.932 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -66.16 -28.48 68.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 72.15 110.873 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.3 ptm -88.17 -17.61 30.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 61.35 110.852 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.22 -16.14 36.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 74.45 110.877 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.768 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -73.36 1.4 9.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 40.44 111.125 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 51.09 31.14 6.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 75.45 110.859 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -175.45 170.57 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 73.21 110.918 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 52.6 mmt-85 -110.55 90.8 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 74.33 110.908 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.9 mp -52.3 161.48 1.03 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 51.12 110.914 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -31.3 21.01 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.743 2.296 . . . . 74.15 112.334 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.71 HG21 ' CG ' ' A' ' 126' ' ' TYR . 6.5 t -106.42 142.51 35.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 72.54 111.142 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.0 m -105.48 22.48 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 72.42 111.151 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.68 ' HB3' HD11 ' A' ' 42' ' ' LEU . 13.9 mt -131.02 61.42 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 61.43 110.944 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.442 ' HD2' HG23 ' A' ' 80' ' ' THR . 6.4 p90 -127.31 162.93 25.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 63.24 110.853 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.711 ' HD2' HD23 ' A' ' 42' ' ' LEU . 6.4 p90 -139.35 174.63 10.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 52.44 110.905 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.732 HG23 HD22 ' A' ' 70' ' ' LEU . 38.0 pt -106.49 144.8 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 54.25 111.148 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.6 -26.96 62.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 75.23 110.931 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -6.91 52.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 63.44 111.161 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -97.94 -21.9 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 65.54 110.876 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.475 HD11 ' HD2' ' A' ' 41' ' ' PHE . 10.3 mm -107.77 -34.87 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.44 111.129 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.534 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 11.6 ttm180 -48.91 -58.37 8.76 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.646 0.736 . . . . 63.43 110.879 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.0 Cg_endo -69.73 5.4 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 72.44 112.38 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.29 -27.85 9.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 65.52 110.853 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.83 -113.31 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 74.35 110.959 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.523 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . 3.3 tt0 -139.94 142.96 36.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 73.02 110.909 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -65.8 -40.11 91.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 70.24 110.841 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -89.64 21.93 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 64.02 110.841 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.565 HD22 ' OE1' ' A' ' 33' ' ' GLU . 11.0 tp -82.74 -19.7 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.907 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.547 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 2.9 mmt180 64.36 160.48 0.12 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.566 0.698 . . . . 73.02 110.904 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.547 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.6 Cg_endo -69.74 70.86 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.263 . . . . 61.0 112.353 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.6 p -98.13 -20.78 17.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 71.21 110.864 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -49.85 -53.0 28.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 65.34 110.895 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.17 -21.96 15.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 72.44 111.096 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -96.83 -20.57 18.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 72.24 110.906 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.05 -19.81 29.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 60.55 111.124 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.648 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 12.8 mm -47.8 -51.76 43.98 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.66 0.743 . . . . 55.45 111.149 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 54.2 Cg_endo -69.76 -34.6 14.25 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.678 2.252 . . . . 74.53 112.373 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 6.1 m -75.39 -13.94 60.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 71.23 110.898 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.749 HD11 HG22 ' A' ' 35' ' ' VAL . 2.9 mm? -95.26 -32.18 13.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.905 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.432 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 14.2 ptt85 -87.55 -30.83 20.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 72.45 110.867 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -56.35 -23.95 40.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 71.34 110.846 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.415 HG22 ' CG2' ' A' ' 17' ' ' THR . 0.8 OUTLIER -101.36 -5.07 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 63.22 111.127 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 67.05 57.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.842 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.47 ' CD ' HG12 ' A' ' 7' ' ' VAL . 21.8 tpp85 -116.54 -31.0 5.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 71.21 110.898 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.562 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.7 pp -149.53 -178.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 73.42 111.132 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.562 ' N ' HD12 ' A' ' 114' ' ' ILE . 41.0 mtp180 -144.83 174.76 10.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 75.13 110.897 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.44 ' HB3' ' CD2' ' A' ' 125' ' ' TYR . 0.0 OUTLIER -145.79 125.94 13.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 71.31 110.91 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -113.2 108.99 18.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 73.23 110.913 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.37 102.16 4.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.22 110.878 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 25.7 m -115.42 81.15 1.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 42.21 110.877 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.413 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 69.28 -141.43 35.61 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.679 -0.772 . . . . 51.21 112.509 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.413 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 53.9 Cg_endo -69.74 4.87 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 70.32 112.354 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.3 mt -119.63 174.3 6.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.9 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 2.9 m -155.43 116.57 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 75.13 111.166 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.768 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 67.4 m-85 -96.84 169.21 10.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 54.43 110.888 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 116' ' ' GLU . 16.2 m-85 -150.75 125.22 9.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.51 110.891 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.71 ' CG ' HG21 ' A' ' 80' ' ' THR . 0.6 OUTLIER -125.55 147.98 60.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.731 . . . . 74.2 110.924 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 90.23 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.235 . . . . 74.23 112.372 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 46.35 82.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 72.22 112.469 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.26 -34.98 59.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 74.31 110.835 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 73.12 110.893 -179.83 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.815 0.341 . . . . 64.22 110.853 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -89.24 163.37 15.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 73.3 110.877 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.33 174.69 9.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 75.02 110.869 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.543 ' O ' HD12 ' A' ' 4' ' ' ILE . 1.2 pp -118.94 154.63 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 55.25 111.107 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.67 143.98 34.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 65.42 110.904 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.659 HD13 ' HB3' ' A' ' 42' ' ' LEU . 3.7 mp -90.58 -38.38 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 74.21 111.111 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 7' ' ' VAL . 6.5 m -155.25 98.35 2.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.739 . . . . 72.04 111.176 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 53.7 Cg_endo -69.73 170.54 16.3 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.697 2.265 . . . . 74.52 112.324 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -53.68 174.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 73.33 110.945 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.703 HD11 ' HB3' ' A' ' 31' ' ' MET . 8.6 pt -123.1 126.04 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.13 111.123 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.78 175.73 9.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 75.31 111.13 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.974 ' HA ' HD11 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -57.05 -32.95 66.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.22 110.87 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -70.6 -27.58 64.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.31 110.899 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.557 ' O ' HG22 ' A' ' 17' ' ' THR . 16.8 mm-40 -91.42 -20.71 21.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 72.42 110.869 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.51 ' CD1' HD12 ' A' ' 28' ' ' LEU . 14.2 t80 -94.23 -28.25 15.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 74.01 110.904 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -82.06 3.56 26.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 73.33 110.883 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.604 HG21 HG21 ' A' ' 111' ' ' ILE . 13.1 t -78.91 -17.52 55.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 51.33 111.152 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.446 HG13 HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -110.01 136.02 20.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.634 0.731 . . . . 73.11 111.127 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 159.31 53.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 61.23 112.372 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -61.2 -21.08 63.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 75.21 110.919 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -62.87 -16.95 60.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 74.03 110.912 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -109.08 -33.51 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 54.41 110.917 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.666 ' O ' HD12 ' A' ' 26' ' ' LEU . 56.3 mt -60.94 -60.58 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 54.41 110.944 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.68 77.83 0.21 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 64.45 112.45 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 65.66 13.9 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 52.34 110.915 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 23' ' ' LEU . 1.9 mt -88.16 152.13 22.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.21 110.897 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.3 m -138.35 158.2 44.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.46 . . . . 53.23 111.093 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.974 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -49.28 -43.9 43.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 73.04 110.911 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.22 -39.83 80.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 74.45 110.89 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.9 mmt -62.38 -47.57 83.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 64.43 110.897 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.703 ' HB3' HD11 ' A' ' 10' ' ' ILE . 12.7 mtt -73.81 -32.74 63.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 72.02 110.885 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -58.46 -43.34 88.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.895 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.599 ' OE1' HD22 ' A' ' 97' ' ' LEU . 12.6 pt-20 -79.03 -28.82 43.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 74.4 110.888 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.671 HG23 ' CE2' ' A' ' 101' ' ' PHE . 47.2 mt -71.33 -45.36 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 70.22 111.126 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 31' ' ' MET . 21.3 t -74.03 -28.68 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 61.41 111.092 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -73.71 -44.27 56.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 52.32 110.875 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -68.28 -48.68 64.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 73.13 110.866 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.605 ' HE3' HG22 ' A' ' 34' ' ' ILE . 12.6 ptp -57.79 -39.42 77.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 71.42 110.883 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -68.77 -30.37 68.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 54.24 110.83 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.52 -56.77 10.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 64.24 110.873 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -59.05 -47.51 84.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.881 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.748 HD23 ' HD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -62.87 -37.49 87.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 73.03 110.935 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.561 ' HA ' HD11 ' A' ' 6' ' ' ILE . 12.2 tpt -60.8 -37.24 81.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 62.54 110.82 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.779 ' O ' HD12 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -70.88 -37.81 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 64.42 110.88 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 46.6 tptt -60.94 -53.72 53.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 75.42 110.885 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.6 p -61.76 -29.13 69.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 64.11 110.88 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -28.76 63.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 74.31 110.881 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 44' ' ' LYS . 2.5 mt -79.55 -32.24 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 71.25 111.156 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.603 ' CD1' HD21 ' A' ' 82' ' ' LEU . 5.9 mt -63.9 -19.61 65.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 74.24 110.921 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -102.28 -34.79 4.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 71.4 112.463 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -53.23 172.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.82 0.343 . . . . 75.44 110.869 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.1 p -120.91 179.06 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 54.45 111.083 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.44 -20.53 66.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.894 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -70.98 -42.69 69.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 71.14 110.921 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -87.79 -33.45 18.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.04 110.932 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.542 HD21 ' HD2' ' A' ' 61' ' ' ARG . 1.3 tt -49.91 125.89 12.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 61.4 110.952 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.31 -173.3 2.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 63.41 111.194 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.4 tpp85 -50.08 -50.82 46.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 75.44 110.908 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.602 ' O ' HG13 ' A' ' 63' ' ' VAL . 3.8 m -53.6 -33.54 55.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 62.33 110.84 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.561 ' OD2' HG23 ' A' ' 48' ' ' ILE . 3.2 t0 -75.87 -33.78 59.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 60.33 110.862 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.542 ' HD2' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -75.56 -38.35 59.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 64.22 110.884 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' HG2' ' HA ' ' A' ' 59' ' ' SER . 15.8 pt-20 -69.31 -40.32 77.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 60.35 110.83 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.713 HG11 ' HE2' ' A' ' 44' ' ' LYS . 28.3 m -69.75 -39.57 78.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 72.25 111.163 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.523 HD22 ' OD1' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -65.82 -43.35 88.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 75.33 110.892 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -36.17 83.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 51.41 110.879 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -74.48 -47.19 34.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 64.42 110.869 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.485 ' HE3' HD12 ' A' ' 64' ' ' LEU . 5.6 m0 -53.34 -48.37 68.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 73.02 110.891 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -73.39 -22.6 60.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 74.33 110.84 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -73.11 -43.09 62.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 71.3 110.897 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.78 HD22 ' CG2' ' A' ' 85' ' ' ILE . 3.9 pp -74.73 -31.42 61.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 72.35 110.889 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.695 ' N ' HD12 ' A' ' 70' ' ' LEU . 83.6 tt0 -72.57 -28.58 62.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 75.42 110.888 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -89.63 -25.86 21.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.89 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.557 ' HE2' HD11 ' A' ' 122' ' ' LEU . 11.7 ptmt -81.8 -15.75 53.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 62.12 110.915 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 124' ' ' PHE . . . -72.28 -0.15 11.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 71.05 111.137 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 48.54 49.63 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 61.35 110.885 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.1 tptp 179.41 122.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 65.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -78.9 90.18 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 72.33 110.873 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.92 153.45 54.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.583 0.706 . . . . 72.14 110.914 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -49.26 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 65.14 112.327 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -78.07 155.31 30.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 62.02 111.163 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.1 m -121.4 -4.17 9.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 72.15 111.181 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.603 HD21 ' CD1' ' A' ' 49' ' ' LEU . 23.8 mt -108.15 66.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 72.54 110.958 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -130.03 -174.28 3.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 74.4 110.863 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.748 ' HD2' HD23 ' A' ' 42' ' ' LEU . 2.3 p90 -152.06 164.01 38.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 72.4 110.873 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.78 ' CG2' HD22 ' A' ' 70' ' ' LEU . 43.9 pt -100.5 144.35 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 64.31 111.164 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -23.36 46.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 75.3 110.904 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.454 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -75.59 -9.02 58.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 72.41 111.145 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -105.67 -17.36 14.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.852 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.484 HG13 ' CE1' ' A' ' 84' ' ' PHE . 22.1 mm -106.47 -31.83 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 53.02 111.14 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.5 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 3.9 ttp85 -49.98 -59.47 6.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.658 0.742 . . . . 70.21 110.851 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 53.6 Cg_endo -69.75 5.39 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.707 2.271 . . . . 71.5 112.355 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -104.49 -34.82 8.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 71.43 110.885 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.11 -116.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 71.43 110.902 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.429 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -140.82 140.83 34.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 61.22 110.907 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -68.39 -24.23 64.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.917 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -101.01 0.17 37.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 72.24 110.863 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.599 HD22 ' OE1' ' A' ' 33' ' ' GLU . 14.4 tp -63.87 -18.81 64.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 73.44 110.939 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 61.69 163.8 0.11 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 74.34 110.88 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 68.53 1.7 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.722 2.281 . . . . 72.13 112.358 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 m -98.23 -25.85 14.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 55.44 110.924 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.671 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -51.56 -50.92 59.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 73.41 110.846 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.27 -22.62 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 71.32 111.079 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -95.15 -22.34 17.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 72.53 110.915 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.419 ' N ' HD11 ' A' ' 26' ' ' LEU . . . -86.96 -18.19 31.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 64.53 111.057 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.645 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 12.6 mm -47.65 -51.49 44.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.636 0.731 . . . . 71.41 111.141 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.645 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.76 -32.14 19.16 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.656 2.237 . . . . 64.43 112.382 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 9.2 m -74.34 -18.79 60.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 61.42 110.882 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.86 -38.66 12.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 64.01 110.935 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.426 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 7.0 ptm180 -80.09 -31.59 39.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 72.4 110.861 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -55.86 -21.82 21.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 63.44 110.849 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.604 HG21 HG21 ' A' ' 17' ' ' THR . 12.3 pt -104.78 -8.73 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 71.53 111.144 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 38.8 mmm-85 71.09 54.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -112.87 -29.68 7.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 65.33 110.907 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.549 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.7 pp -150.6 -179.17 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.13 111.137 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.549 ' N ' HD12 ' A' ' 114' ' ' ILE . 2.7 mtt180 -139.11 171.1 14.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 42.32 110.925 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.613 ' OE1' HG23 ' A' ' 105' ' ' ILE . 1.8 pm0 -149.03 128.94 13.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.912 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -116.9 105.34 12.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 64.34 110.879 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.66 104.3 3.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 64.51 110.87 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 10.4 m -120.77 82.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 61.32 110.901 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.401 ' HA3' ' HD2' ' A' ' 121' ' ' PRO . . . 67.37 -140.1 36.72 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.753 -0.736 . . . . 74.14 112.496 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.401 ' HD2' ' HA3' ' A' ' 120' ' ' GLY . 53.7 Cg_endo -69.79 1.5 4.4 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.724 2.283 . . . . 71.44 112.352 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.557 HD11 ' HE2' ' A' ' 73' ' ' LYS . 1.9 mt -118.12 174.33 6.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.93 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 8.8 m -155.57 123.25 5.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 74.11 111.156 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 74' ' ' ALA . 9.3 m-85 -94.77 163.11 13.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 63.54 110.881 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -150.59 117.59 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 65.14 110.924 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.81 158.62 61.94 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.684 0.754 . . . . 73.24 110.906 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.4 ' HB3' HG22 ' A' ' 6' ' ' ILE . 53.8 Cg_endo -69.77 98.77 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.687 2.258 . . . . 74.35 112.322 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 48.73 -156.94 1.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.697 -0.763 . . . . 54.13 112.509 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.9 p -127.3 156.16 42.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.37 . . . . 64.44 110.838 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 72.51 110.87 -179.841 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mpp? . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.767 0.318 . . . . 74.5 110.835 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -53.72 144.4 18.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 54.45 110.889 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.85 151.77 38.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 72.34 110.877 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.89 165.77 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 73.43 111.114 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.09 145.39 55.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.856 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.721 HD11 ' HA ' ' A' ' 43' ' ' MET . 1.2 mp -96.84 -36.31 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 75.43 111.101 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.471 HG23 ' HB2' ' A' ' 39' ' ' ASP . 3.4 m -155.77 98.9 2.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 71.21 111.139 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 7' ' ' VAL . 54.3 Cg_endo -69.71 171.15 14.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 63.24 112.386 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -58.54 155.75 11.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 71.23 110.934 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.816 HD11 ' HB3' ' A' ' 31' ' ' MET . 3.4 pt -117.53 114.74 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 53.3 111.154 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.486 ' HA ' HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -88.41 -170.51 2.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 62.41 111.159 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.674 ' HA ' HD11 ' A' ' 28' ' ' LEU . 2.7 t0 -55.39 -23.3 23.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 72.15 110.877 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.64 -30.03 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.884 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.455 ' O ' HG23 ' A' ' 17' ' ' THR . 70.0 mm-40 -104.67 -43.01 5.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 74.23 110.852 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -57.85 -24.93 59.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.34 110.892 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -12.72 60.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 64.54 110.893 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.563 ' OG1' HD13 ' A' ' 18' ' ' ILE . 18.7 p -78.03 -15.42 58.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 51.51 111.088 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.563 HD13 ' OG1' ' A' ' 17' ' ' THR . 0.0 OUTLIER -122.54 94.58 47.56 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.631 0.729 . . . . 61.3 111.11 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 178.77 4.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.721 2.281 . . . . 75.21 112.387 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -53.14 -25.92 15.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 75.21 110.903 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -62.46 -22.84 66.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 74.11 110.956 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -109.28 -42.98 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 75.01 110.923 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.553 HD21 HG13 ' A' ' 18' ' ' ILE . 14.6 mt -68.54 -54.3 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 63.35 110.927 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.53 -55.35 4.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.789 -0.719 . . . . 74.43 112.461 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -155.06 21.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 75.13 110.852 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' A' ' 30' ' ' MET . 0.2 OUTLIER -100.52 165.79 11.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 70.21 110.938 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.417 ' OG1' ' HG2' ' A' ' 30' ' ' MET . 0.0 OUTLIER -139.82 165.85 26.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 62.23 111.126 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.674 HD11 ' HA ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -53.32 -41.0 65.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.942 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.89 -39.88 90.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 75.41 110.856 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.536 ' HB2' HD23 ' A' ' 26' ' ' LEU . 7.9 mmt -66.07 -43.89 86.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 74.41 110.881 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.816 ' HB3' HD11 ' A' ' 10' ' ' ILE . 93.0 mtp -75.82 -30.79 59.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.52 110.904 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -64.08 -40.13 95.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 62.34 110.927 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.597 ' OE2' HD13 ' A' ' 97' ' ' LEU . 12.5 pt-20 -80.97 -30.02 35.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 52.01 110.905 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.601 HG23 ' CE2' ' A' ' 101' ' ' PHE . 41.8 mt -70.29 -48.61 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 74.12 111.147 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.671 HG22 HD11 ' A' ' 108' ' ' LEU . 21.7 t -73.08 -29.44 28.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 72.21 111.172 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.0 t -67.97 -52.04 40.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 75.03 110.901 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -64.29 -49.05 73.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.899 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -43.53 63.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 65.51 110.885 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.471 ' HB2' HG23 ' A' ' 7' ' ' VAL . 37.7 t0 -67.3 -30.4 70.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 74.13 110.867 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -62.28 -58.58 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 75.54 110.847 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -45.52 92.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 71.24 110.871 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -65.09 -29.19 70.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 72.13 110.929 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.721 ' HA ' HD11 ' A' ' 6' ' ' ILE . 6.0 tpt -68.04 -39.89 82.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.894 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.626 ' CE ' HG11 ' A' ' 63' ' ' VAL . 9.0 ptmt -71.45 -35.48 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 75.43 110.914 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -64.22 -53.67 45.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 74.24 110.888 179.862 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -62.63 -25.85 68.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 70.24 110.849 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -27.99 61.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 74.55 110.944 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.563 HD12 ' O ' ' A' ' 44' ' ' LYS . 5.9 mt -81.85 -31.95 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 74.44 111.144 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 45' ' ' LYS . 6.7 mt -69.67 -11.03 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 70.02 110.92 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.08 33.17 2.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 64.52 112.463 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -119.18 -175.32 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.389 . . . . 72.13 110.846 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 54' ' ' LYS . 8.8 t -127.18 171.09 11.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 72.12 111.12 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.403 ' HA ' ' HB3' ' A' ' 56' ' ' LEU . 3.0 m120 -66.15 -12.9 58.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 63.23 110.891 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.514 ' H ' HG23 ' A' ' 52' ' ' THR . 45.1 mttm -68.15 -54.12 20.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 61.53 110.881 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.595 ' O ' HG23 ' A' ' 57' ' ' THR . 21.9 tp60 -84.34 -30.15 25.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 62.43 110.887 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 56' ' ' LEU . 5.0 tt -47.3 119.68 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 73.43 110.93 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 55' ' ' GLN . 33.7 p -115.93 -172.93 2.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 75.31 111.143 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -59.01 -45.3 91.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 72.43 110.899 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.465 ' O ' HG13 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -51.32 -31.48 21.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 52.31 110.868 -179.83 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -73.75 -34.2 64.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 62.11 110.835 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.9 -36.3 67.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 72.34 110.819 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 63' ' ' VAL . 0.4 OUTLIER -70.7 -37.99 73.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 72.32 110.912 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.626 HG11 ' CE ' ' A' ' 44' ' ' LYS . 27.9 m -74.57 -39.35 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 74.31 111.09 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -63.42 -42.99 98.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 65.14 110.945 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -36.32 79.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 62.34 110.801 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -73.73 -40.96 63.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 53.1 110.929 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -44.03 97.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 73.13 110.887 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -73.16 -22.36 60.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 73.04 110.865 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -70.73 -44.41 66.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 74.11 110.891 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.908 HD22 HG23 ' A' ' 85' ' ' ILE . 2.9 pp -76.5 -29.14 56.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 35.33 110.934 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.57 ' N ' HD12 ' A' ' 70' ' ' LEU . 11.2 tp10 -73.73 -30.66 62.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 73.53 110.892 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.7 ptm -87.73 -19.3 27.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 65.4 110.904 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.586 ' HE3' HD11 ' A' ' 122' ' ' LEU . 3.0 pttp -91.52 -13.51 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 73.4 110.897 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.611 ' HB2' ' HZ ' ' A' ' 124' ' ' PHE . . . -72.81 -1.24 15.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 31.41 111.073 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 48.15 38.92 10.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 70.45 110.852 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -177.62 136.7 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 75.42 110.903 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.3 ttm-85 -88.6 91.51 8.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.836 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.659 HD21 ' CD2' ' A' ' 124' ' ' PHE . 1.6 mp -51.77 158.15 1.72 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.622 0.725 . . . . 73.21 110.878 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.653 2.235 . . . . 71.24 112.347 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.723 HG21 ' HB3' ' A' ' 126' ' ' TYR . 4.6 t -79.84 164.29 23.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 64.04 111.114 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.8 t -117.81 -18.05 9.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 62.31 111.122 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.742 ' HB3' HD11 ' A' ' 42' ' ' LEU . 12.4 mt -98.29 67.01 1.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 71.04 110.955 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.686 ' HD2' HG23 ' A' ' 80' ' ' THR . 9.0 p90 -132.3 153.95 50.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.885 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.731 ' CD2' HD23 ' A' ' 42' ' ' LEU . 1.4 p90 -130.33 175.61 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.9 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.908 HG23 HD22 ' A' ' 70' ' ' LEU . 43.6 pt -107.27 146.5 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 74.14 111.128 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -26.85 55.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 64.13 110.86 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.558 ' OG1' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -74.63 -6.81 50.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 72.23 111.171 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.42 -3.13 17.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 64.41 110.834 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.8 mm -123.51 -40.06 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 63.42 111.088 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.603 ' N ' ' HD2' ' A' ' 91' ' ' PRO . 0.3 OUTLIER -53.76 -54.69 43.63 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.612 0.72 . . . . 75.35 110.887 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 54.0 Cg_endo -69.78 3.69 2.64 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.687 2.258 . . . . 62.11 112.378 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.71 -30.88 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.919 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.6 mt -64.27 -112.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 60.01 110.886 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.449 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . 1.1 mt-30 -133.53 140.53 47.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 73.02 110.891 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.41 -23.99 65.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 64.44 110.816 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -100.83 -2.01 33.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 71.11 110.878 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.597 HD13 ' OE2' ' A' ' 33' ' ' GLU . 26.0 tp -65.77 -22.24 66.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 64.02 110.926 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.401 ' HB3' ' HD2' ' A' ' 99' ' ' PRO . 24.9 mmt180 61.08 161.39 0.11 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.718 . . . . 71.5 110.904 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 98' ' ' ARG . 53.7 Cg_endo -69.81 70.0 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.665 2.244 . . . . 75.54 112.346 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.5 m -97.21 -17.3 19.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 65.03 110.922 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.601 ' CE2' HG23 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -50.88 -50.72 56.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 72.54 110.869 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.03 -24.4 9.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 73.22 111.114 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -91.98 -24.98 19.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.918 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.88 -15.66 41.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 65.22 111.132 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.649 ' N ' ' HD2' ' A' ' 106' ' ' PRO . 14.1 mm -46.87 -51.42 39.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.639 0.733 . . . . 64.41 111.116 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 105' ' ' ILE . 53.9 Cg_endo -69.75 -30.29 22.55 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.656 2.237 . . . . 73.12 112.34 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.476 ' HA ' HG21 ' A' ' 18' ' ' ILE . 5.7 m -77.91 -15.62 58.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.43 110.898 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.671 HD11 HG22 ' A' ' 35' ' ' VAL . 3.1 mm? -94.97 -34.76 12.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.54 110.912 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.463 ' HG2' ' HA ' ' A' ' 106' ' ' PRO . 0.1 OUTLIER -83.7 -29.72 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.858 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -56.18 -21.49 23.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 65.42 110.882 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.493 HD12 ' CD ' ' A' ' 113' ' ' ARG . 9.4 pt -101.11 -11.38 8.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 63.11 111.095 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 71.59 58.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 75.24 110.864 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.493 ' CD ' HD12 ' A' ' 111' ' ' ILE . 51.0 mtt180 -121.64 -32.64 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.909 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.59 HD12 ' N ' ' A' ' 115' ' ' ARG . 1.5 pp -144.56 179.08 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 71.21 111.088 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.59 ' N ' HD12 ' A' ' 114' ' ' ILE . 0.2 OUTLIER -148.21 177.34 9.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.902 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.435 ' CD ' HG23 ' A' ' 105' ' ' ILE . 2.8 pm0 -143.15 138.01 29.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 64.42 110.891 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.61 106.32 15.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.879 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -84.4 101.57 12.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 73.32 110.866 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.0 m -129.63 87.96 2.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 63.23 110.87 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' ' 122' ' ' LEU . . . 65.73 -148.04 50.83 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.819 -0.705 . . . . 53.4 112.464 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 33.75 0.2 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.716 2.277 . . . . 61.43 112.354 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.586 HD11 ' HE3' ' A' ' 73' ' ' LYS . 14.9 mt -138.32 162.14 35.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.89 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.89 104.59 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 72.24 111.136 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.659 ' CD2' HD21 ' A' ' 78' ' ' LEU . 54.0 m-85 -95.48 172.22 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 72.34 110.879 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -151.92 124.44 8.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 74.34 110.949 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.723 ' HB3' HG21 ' A' ' 80' ' ' THR . 1.0 OUTLIER -120.9 147.67 46.77 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.66 0.743 . . . . 64.32 110.916 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 88.46 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 75.54 112.342 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 45.42 29.77 2.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 52.3 112.449 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.78 -178.13 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 62.04 110.869 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 63.51 110.894 -179.871 . . . . . . . . 0 0 . 1 stop_ save_